Molecule FYI-1008367

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Molecule Summary:

ID: FYI-1008367
Names:
InChIKey: VYQFIVPHBLAONR-UHFFFAOYSA-N
SMILES: Cc1cnc(N)cc1C

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

Molecule ID: FYI-1008367 Edit

Molecule Structure InChIKey: VYQFIVPHBLAONR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cnc(N)cc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008367
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  2  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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008367-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    1.2065   -1.2311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095    0.4350   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355    0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6145    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -1.5166    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5465   -0.9708   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    0.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353    2.1505   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3851    1.8077   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3861    1.8070    0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    2.8612    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445   -2.5777    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -0.5952   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6526   -2.0612   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0563   -0.5962    0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5802   -0.3235    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    1.3165    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1137👍, 0💬