Molecule FYI-1005147

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Molecule Summary:

ID: FYI-1005147
Names:
InChIKey: GGYSMOXPPULTET-UHFFFAOYSA-N
SMILES: Nc3nc2nc(SCc1ccccc1)nn2c4nc[nH]c34

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005147 Edit

Molecule Structure InChIKey: GGYSMOXPPULTET-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3nc2nc(SCc1ccccc1)nn2c4nc[nH]c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005147
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5275    0.3441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8507    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9985    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1155    0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581    2.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583    2.1409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4901    0.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    1.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498    2.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5752    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6270    4.1848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709    5.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028    4.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7819    1.3709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  2  0  0  0  0
  9 10  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 17 20  1  0  0  0  0
 16 18  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005147-3D
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.0288    0.1275    0.2267 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3932    0.1030    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402    1.2499    0.1666 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266    1.2520    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2761    2.2682    0.1633 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5088    1.6635    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0366    2.5022   -0.0006 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7395    4.0306    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0124    4.8513    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    5.7907    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5505    6.5348    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3924    6.3449    1.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0552    5.4099    2.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8757    4.6661    2.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4973    0.3308    0.0783 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1811    0.0751    0.0957 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5064   -1.1519    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0202   -2.4133    0.0397 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507   -3.1807    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831   -2.4492    0.0927 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.1297    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    1.0340    0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910   -0.6630   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3575    3.7959    1.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9728    4.6295    0.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    5.9427   -0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8185    7.2541   -0.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3107    6.9186    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7154    5.2565    3.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6389    3.9340    2.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511   -4.2646    0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493   -2.8359    0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1905👍, 0💬