Molecule FYI-1008352

Home > Molecule

A

Molecule Summary:

ID: FYI-1008352
Names:
InChIKey: ZULDDUZNIUUNKV-UHFFFAOYSA-N
SMILES: CSc1nc(N)cc(N(C)C)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008352 Edit

Molecule Structure InChIKey: ZULDDUZNIUUNKV-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1nc(N)cc(N(C)C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008352
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008352-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    2.9327   -1.0513    0.2236 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1049   -0.7723    0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734   -0.8379    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314    1.2173    0.0882 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    3.3033   -0.0327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -0.1039    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730    1.2751   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2332   -0.1852   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2562   -2.0531    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3629    1.8883    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4148   -0.1236    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185   -2.5569   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813    1.8636   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379    0.2595   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9913   -0.9423   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157    0.5781   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -2.0289    1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3102   -2.3340    0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525   -2.8389    0.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002    3.7465   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    3.8152    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203   -2.3249   -1.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673   -3.1003   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -3.2090   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  2  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1115👍, 0💬