Molecule FYI-1005150

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Molecule Summary:

ID: FYI-1005150
Names:
InChIKey: HZJUMKIVRPCPRE-UHFFFAOYSA-N
SMILES: NC4c2nc(SCc1ccccc1)nn2c3nc[nH]c34

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

Molecule ID: FYI-1005150 Edit

Molecule Structure InChIKey: HZJUMKIVRPCPRE-UHFFFAOYSA-N

Molecule Structure SMILES String: NC4c2nc(SCc1ccccc1)nn2c3nc[nH]c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005150
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9166    0.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.3837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    2.0925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2226    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    2.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0898    3.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2631    0.5258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3055    3.8954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6054    5.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360    4.8165    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  1  0  0  0  0
 15 16  2  0  0  0  0
 12 16  1  0  0  0  0
 11 14  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005150-3D
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
    1.5297   -0.2641   -0.2741 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5455    0.7539   -0.4948 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9381    1.9424   -1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    2.1219   -2.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6843    3.3888   -2.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075    3.8586   -2.9747 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    5.6589   -2.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9223    6.1844   -3.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0927    6.4801   -2.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2394    6.9298   -3.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2349    7.0783   -5.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0876    6.7684   -5.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9392    6.3191   -5.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1384    4.0260   -0.9402 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235    3.0688   -0.4147 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486    2.7617    0.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7957    3.3380    1.9907 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    2.3469    2.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126    1.1521    1.9890 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9018    1.4370    0.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283   -0.5854   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6901    0.1919    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4194    0.3597   -1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2081    6.0300   -3.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752    6.0389   -1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1225    6.3497   -1.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1366    7.1585   -3.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1270    7.4254   -5.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0907    6.8674   -6.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0622    6.0599   -5.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095    2.4134    3.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411    0.2604    2.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1320👍, 0💬