Molecule FYI-1008251

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A

Molecule Summary:

ID: FYI-1008251
Names:
InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES: Cn2c(=O)c1[nH]cnc1n(C)c2=O

Received at FYIcenter.com on: 2024-04-26

Molecule ID: FYI-1008251 Edit

Molecule Structure InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn2c(=O)c1[nH]cnc1n(C)c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008251
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.2790    0.0000 N   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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008251-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
   -0.4586    2.7181    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4695   -1.5249   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456   -1.4090    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928    0.6039   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1381    1.2470   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -0.9780    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9676   -0.5796   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536    0.7838   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850    1.4926   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424   -0.8370   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0267   -2.8565    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8288    1.1905    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591    0.1491    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4315    2.2150    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848   -3.1483   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352   -3.3753    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5853   -3.1481    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044    2.2826    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655    0.8410    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3668    0.8410   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0359    0.2409    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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2024-07-11, 902👍, 0💬