Molecule Editor

Molecule ID: FYI-1010484 Edit

Molecule Structure InChIKey: BUVSJVPPZLQWNU-UHFFFAOYSA-N

Molecule Structure SMILES String: c2cc1nc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010484
FYIcenter.com

  6  7  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    1.2125    2.8000    0.0000 N   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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010484-3D
FYIcenter.com

  9 10  0     0  0  0  0  0  0999 V2000
    1.7731    0.0001    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6372    0.7631    0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373   -0.7631   -0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7558    1.0960   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7557   -1.0959    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5360    0.0000    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1142    2.1130    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1142   -2.1130   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6122   -0.0001    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
$$$$