Molecule Editor

Molecule ID: FYI-1016415 Edit

Molecule Structure InChIKey: GHOJCPYPHZXVAH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C2=NC=C1N=CNC1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016415
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.3208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    1.2791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.3158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    0.1464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6158    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016415-3D
FYIcenter.com

 18 19  0  0  1  0  0  0  0  0999 V2000
    1.7254   -1.0080    0.5969 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5040   -0.2019    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754   -0.0003   -1.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621    0.7842    1.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542    1.7149    0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.5885    1.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3029    2.7340    2.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1003    3.2800    3.5264 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8015    2.5983    4.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484    1.6477    4.4080 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    1.8950    3.1016 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1222    0.6589    2.4047 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170    0.7463   -1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    3.0809    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610    2.6776    5.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674    0.9680    5.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387    2.4253    3.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405    0.0590    2.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$