Molecule Editor

Molecule ID: FYI-1016414 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-1016414
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-1016414-3D
FYIcenter.com

 18 19  0  0  1  0  0  0  0  0999 V2000
    1.3646    0.7907   -0.4791 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    0.0869   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283   -0.1780    1.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -0.6715   -1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954   -1.5329   -0.7614 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7309   -2.1900   -1.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3341   -2.2457   -3.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -2.5322   -4.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.7982   -5.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4681   -1.0729   -4.6940 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0630   -1.5525   -3.3971 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8479   -0.4287   -2.5543 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821   -0.8112    1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -2.5695   -1.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413   -1.6833   -6.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233   -0.3852   -5.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046   -2.2261   -3.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9623    0.0541   -2.6899 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
$$$$