Molecule FYI-1015419

A

Molecule Summary:

ID: FYI-1015419
Names:
InChIKey: DKYJZHITKLHSBH-UHFFFAOYSA-N
SMILES: CCCCCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Received at FYIcenter.com on: 2025-09-01

Molecule ID: FYI-1015419 Edit

Molecule Structure InChIKey: DKYJZHITKLHSBH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015419
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015419-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    0.9109    4.5156   -6.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    4.4624   -6.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    4.3317   -5.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4403    4.2811   -5.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    4.1600   -3.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    4.1216   -3.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9135    4.0289   -2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4318    3.8697   -2.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367    4.9966   -2.6929 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5852    4.8475   -2.5977 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1780    3.7022   -3.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9260    3.9029   -4.9228 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0389    5.1575   -5.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8365    5.5590   -6.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2676    6.6611   -7.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1556    4.6554   -7.4931 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7491    4.8598   -8.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606    5.9563   -9.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6745    6.1367  -10.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1805    7.5043  -11.8071 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7787    5.2267  -11.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    4.1138  -10.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8694    3.9320   -9.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    2.8485   -8.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4012    6.2268   -4.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2032    6.1200   -2.9822 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    4.6105   -7.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5323    5.3723   -6.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4751    3.6052   -6.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394    5.3716   -7.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829    3.6125   -7.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    3.4225   -4.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5513    5.1809   -4.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    5.1878   -5.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    3.4282   -5.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4901    3.2490   -3.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285    5.0090   -3.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8353    5.0232   -4.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8014    3.2610   -4.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4497    3.1587   -1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5904    4.9127   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962    2.9336   -2.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7128    3.7741   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8936    5.8574   -2.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8668    4.6658   -1.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7591    2.7361   -3.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2612    3.6345   -3.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8379    3.7951   -7.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    6.6867   -9.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3939    5.3836  -12.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6757    3.4138  -11.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8779    2.3021   -9.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8651    7.1320   -4.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  2  0  0  0  0
 25 53  1  0  0  0  0
M  END
$$$$

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2025-11-06, 588👍, 0💬