Molecule FYI-1010205

A

Molecule Summary:

ID: FYI-1010205
Names:
InChIKey: OEWRZXKLYVHLDQ-UHFFFAOYSA-N
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cn5nc(N3C4CCCC3CC4)ccc5n6

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010205 Edit

Molecule Structure InChIKey: OEWRZXKLYVHLDQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cn5nc(N3C4CCCC3CC4)ccc5n6

Download SDF Download SVG Structure in 2D SDF:

FYI-1010205
FYIcenter.com

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7166    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5395    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8709    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5395    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0036    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3350    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1579    3.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3350    4.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0036    4.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5190    4.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  4  7  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 13 14  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
  1 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 28 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010205-3D
FYIcenter.com

 51 56  0  0  1  0  0  0  0  0999 V2000
    3.2333    0.6075   -1.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876    0.6077   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    0.0833    0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5235   -0.4372   -0.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -0.7358   -2.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4322   -1.1753   -2.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948   -1.6034   -4.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005   -1.9743   -4.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517   -2.3207   -6.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158   -2.1559   -6.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6002   -1.7045   -5.0245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -1.1910   -1.9447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778   -0.7096   -0.3673 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0901    1.2488    1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2284    2.0197    1.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    2.4513    2.5875 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1289    3.2796    3.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    3.5981    4.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7675    4.4240    5.1295 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5762    5.3222    6.2806 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6342    4.9661    7.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2909    3.6397    7.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142    3.6739    5.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0860    4.7337    4.5572 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5909    6.2404    4.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9522    6.6775    5.6699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    3.0497    5.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485    2.2210    4.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    1.9025    3.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869    1.1763    2.3081 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239    0.2053    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276   -1.9963   -4.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7589   -2.6546   -7.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9465   -2.3202   -7.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5441   -1.5010   -4.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5519   -1.4774   -2.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    2.3184    0.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5657    5.3180    6.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1836    4.9551    8.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4372    5.7152    7.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    2.8443    7.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975    3.3989    7.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6865    2.6686    5.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9053    3.8210    5.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9411    5.3281    4.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    6.2569    3.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3623    6.9351    3.9918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0783    7.3170    5.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6633    7.2509    6.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450    3.2951    6.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048    1.7664    5.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$

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