Molecule FYI-1001507

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A

Molecule Summary:

ID: FYI-1001507
SMILES: C1=NC=C(C=C1)N2C=C(C(Cl)=N2)N([H])C(=O)[C@@H](C)S(=O)(C)=O

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001507 Edit

Molecule Structure SMILES String: C1=NC=C(C=C1)N2C=C(C(Cl)=N2)N([H])C(=O)[C@@H](C)S(=O)(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001507
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
   12.4549    2.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6320    3.4298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    3.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8855    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2084    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    0.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.5415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3291    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 19  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 17 19  1  6  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001507-3D
FYIcenter.com

 34 35  0  0  1  0  0  0  0  0999 V2000
   -1.0371   -0.8905   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1917   -0.0097    0.9729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4221    1.1081    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956    1.3788   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    0.4411   -1.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452   -0.7140   -1.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521    2.5744   -0.0440 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    3.0042   -1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    4.2203   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946    4.4435    0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    5.7939    1.6410 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1564    3.4631    0.9763 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5383    5.0309   -1.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129    5.8900   -0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    4.6911   -2.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0447    3.6042   -3.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    5.7612   -3.1050 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2095    7.0153   -3.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4006    6.1022   -2.0578 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8790    6.5299   -0.7703 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2078    4.5305   -1.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3109    6.9544   -2.7994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691   -1.7726    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.7892    1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    0.5705   -1.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556   -1.4541   -1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    2.4243   -1.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4227    5.3612   -4.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7776    7.4696   -2.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3846    6.7826   -4.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424    7.7699   -3.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350    3.8400   -1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    4.6970   -1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5012    4.1417   -2.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  6  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$

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2022-10-01, 423👍, 0💬