Molecule Editor

Molecule ID: FYI-1016175 Edit

Molecule Structure InChIKey: MFIASPFLBWBTCL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2NC1N/C(=N\N(=O)=O)NC1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016175
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.3689    2.8543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3689    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1564    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    2.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    3.4237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7977    1.4620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    0.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016175-3D
FYIcenter.com

 19 20  0     1  0  0  0  0  0999 V2000
    3.5875   -0.8125    1.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0864    0.0810    0.7973 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7643   -1.3458   -0.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0933    1.5004   -0.0771 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.9644    0.3279 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -1.1342   -0.4076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -0.6114   -0.7709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512    0.6986    0.3388 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -0.2561    0.2877 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3390    1.1222   -0.6683 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0288   -0.3090   -1.1411 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8101    0.4824   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382   -0.3798    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671    1.7963   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854   -0.4472   -2.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645    2.3879    0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    1.7296    0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266   -2.1423   -0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2188    1.6067    0.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$