Molecule FYI-1015778

A

Molecule Summary:

ID: FYI-1015778
Names:
InChIKey: MXGYFZAWHDLLFI-ZJUUUORDSA-N
SMILES: COC4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Received at FYIcenter.com on: 2025-10-10

Molecule ID: FYI-1015778 Edit

Molecule Structure InChIKey: MXGYFZAWHDLLFI-ZJUUUORDSA-N

Molecule Structure SMILES String: COC4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015778
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
   14.8511    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6386    5.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0739    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0638    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0743    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0743    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9956    5.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6033    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    4.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026    3.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    4.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 16 15  1  1  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 16  1  0  0  0  0
 18 21  1  1  0  0  0
 22 21  1  0  0  0  0
 23  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015778-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
   -5.1366   -0.1218   -1.3499 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582    1.4032   -0.0649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1473   -0.0058    0.9067 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660   -1.4155    0.0719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -2.0442    0.5411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4439    1.6165    0.4685 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719    0.9950    0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1956    3.2348    0.0436 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6418   -1.5307   -0.2335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9830   -0.2817    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2635    0.8549    0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278   -1.1842    0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.7844    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7221   -0.2380   -0.0304 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8126    0.3207    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558   -0.9228   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1851   -0.2169   -1.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369   -0.2646    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8538   -0.6761    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679    1.1335    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070   -2.4569    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436    1.8694    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2089    0.7157   -1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8776   -1.4640    1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.0256    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630   -0.9426    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245   -1.0695   -2.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    0.2699   -2.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2424    1.1479    1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4822    1.9276    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6298   -3.4888    0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2152    0.7604   -2.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0755    1.7266   -1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1617    0.3022   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7236    2.2782    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1501    3.4897   -0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205    3.9386    0.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 41  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  2  0  0  0  0
  6 15  2  0  0  0  0
  6 22  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
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 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-14, 268👍, 0💬