Molecule FYI-1007949

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A

Molecule Summary:

ID: FYI-1007949
Names:
InChIKey: PPEWCSSFVFQSCD-UHFFFAOYSA-N
SMILES: CC2NC(=O)c1ccccc1N2

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007949 Edit

Molecule Structure InChIKey: PPEWCSSFVFQSCD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2NC(=O)c1ccccc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007949
FYIcenter.com

 12 13  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007949-3D
FYIcenter.com

 22 23  0     1  0  0  0  0  0999 V2000
   -0.8848    2.5656   -0.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449   -1.4767   -0.5617 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365    0.5974   -0.3593 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098   -0.8497   -0.2332 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3388   -0.8180   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616    0.5627   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8943    1.3406   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412   -1.2531    1.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -1.5205   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5601    1.2206    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -0.8682    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7518    0.4994    0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8678   -1.1876   -0.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8206   -2.4792   -0.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9076    1.1024   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -2.3419    1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8252   -0.9124    1.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144   -0.8151    1.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703   -2.5893   -0.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853    2.2898    0.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6783   -1.4288    0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    1.0056    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2024-04-14, 138👍, 0💬