Molecule Editor

Molecule ID: FYI-1007189 Edit

Molecule Structure InChIKey: DNCYBUMDUBHIJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1ccnc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007189
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    2.1000    0.0000 N   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  6  2  0  0  0  0
  6  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007189-3D
FYIcenter.com

 11 11  0     0  0  0  0  0  0999 V2000
    2.2931    0.0162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868    1.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7847    0.0261   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0670    0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -1.2249    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0889    1.1156    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    2.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8023   -2.1739    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5668    2.1070    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450   -2.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
$$$$