Molecule Editor

Molecule ID: FYI-1016769 Edit

Molecule Structure InChIKey: WPANETAWYGDRLL-UHFFFAOYSA-N

Molecule Structure SMILES String: N=C(N)c1ccc(N)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016769
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016769-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    3.5178    0.0173    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8690    1.1682   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876   -1.1673    0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6823   -0.0086   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    0.0085    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    1.2036    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0226   -1.2124   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024    1.2122    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -1.2039   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1365   -0.0176   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    2.1669    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -2.1739   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9294    2.1630    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557   -2.1484   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0294   -0.8550    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0185    0.8959    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8834    1.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509    2.0902   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7940   -0.9675    0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
$$$$