Molecule FYI-1003160

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A

Molecule Summary:

ID: FYI-1003160
Names:
InChIKey: AAEVYOVXGOFMJO-UHFFFAOYSA-N
SMILES: CSc1nc(NC(C)C)nc(NC(C)C)n1

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003160 Edit

Molecule Structure InChIKey: AAEVYOVXGOFMJO-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1nc(NC(C)C)nc(NC(C)C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003160
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   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  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003160-3D
FYIcenter.com

 35 35  0     0  0  0  0  0  0999 V2000
   -3.3273    2.2270    0.2537 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583    1.8343   -0.0836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8447   -2.1259    0.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4339   -0.1629    0.0289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -0.0628    0.1920 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6776    1.9632    0.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312    1.1189   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3203   -2.9510    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564    0.6460    1.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9888    2.0288   -0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8081   -3.0545   -1.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -4.3291    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    1.1965    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866   -0.7152    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8261    1.2731    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5217    1.1137   -0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312    0.2488   -0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1257   -2.5331    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607    2.8470   -0.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -2.5403    0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6272   -0.0476    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    1.4898    1.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3206    0.1286    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    2.9253   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    1.5068   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    2.3591   -1.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6855   -3.7066   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303   -3.4670   -2.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911   -2.0773   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377   -4.2511    1.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -4.9739    0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -4.8248    0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1809    0.8374   -1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4829    1.6269   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6662    0.2116    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  2  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2204👍, 0💬