Molecule FYI-1016044

A

Molecule Summary:

ID: FYI-1016044
Names:
InChIKey: HYWSCQCIXPBKRH-VZUCSPMQSA-L
SMILES: Cc1ncc(COP(=O)([O-])[O-])c(/C=N/C[CH-]S(=O)(=O)O)c1O

Received at FYIcenter.com on: 2025-11-12

Molecule ID: FYI-1016044 Edit

Molecule Structure InChIKey: HYWSCQCIXPBKRH-VZUCSPMQSA-L

Molecule Structure SMILES String: Cc1ncc(COP(=O)([O-])[O-])c(/C=N/C[CH-]S(=O)(=O)O)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016044
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.6745    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8745    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  4  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  2  0  0  0  0
 22  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016044-3D
FYIcenter.com

 34 34  0  0  0  0  0  0  0  0999 V2000
   -1.6282   -1.8124    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5188   -0.8040    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -1.2937    0.0447 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493   -0.3894    0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5936    0.9968    0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643    1.8207    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    3.0167    0.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881    4.0162    0.9057 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    5.1817    0.9129 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225    3.1961    2.1672 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4972    5.0158    0.9962 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2727    1.4812    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    2.9359    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2570    3.3930   -0.0381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071    4.8666   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5894    5.3893   -0.0026 C   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8271    7.0813   -0.0596 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363    7.6292   -1.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1930    7.3828    0.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8848    7.5464    1.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    0.5626    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1110    0.9564   -0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2263   -2.8310    0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401   -1.6941   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2595   -1.6984    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432   -0.8325    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    2.0369   -0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    1.2549    0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098    3.6514    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6656    5.2504   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7069    5.1986    0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    4.7651    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9651    7.6854    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0943    1.9436   -0.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

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2026-04-13, 377👍, 0💬