Molecule Editor

Molecule ID: FYI-1016158 Edit

Molecule Structure InChIKey: KFFPBWZQPPESLP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1nnc(NN)n(N)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016158
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   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
    2.4250    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   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
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
  2  1  1  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
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016158-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.1039    1.5189    0.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631    0.9490   -0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4373    0.2701   -0.0215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487   -1.3239   -0.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -1.6710   -0.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918    2.2741   -0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187   -0.7698    0.0412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044   -0.0692   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    0.7103    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -0.7522    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616   -1.1363    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694   -2.2246    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413   -0.7373    0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -0.7296   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652    1.2268    0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1881    2.7226    0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758    2.7295   -0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1530   -0.5251   -0.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6246   -0.8835    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5 10  2  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$