Molecule Editor

Molecule ID: FYI-1015953 Edit

Molecule Structure InChIKey: HIETYQNLIMOBBK-UHFFFAOYSA-O

Molecule Structure SMILES String: Nc3[n-]c2n[n+]1nc(N(=O)=O)[n-]c1n[n+]2n3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015953
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.4688    1.2388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564    1.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1100    3.3312    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.7406    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    4.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.8347    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7038    5.8751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    3.9133    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.9406    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    2.4098    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9774    1.3694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6863    0.0000    0.0000 O   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  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  2  0  0  0  0
 17 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015953-3D
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.4983    0.3409    0.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8040    0.0389    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2263   -1.2807    0.0625 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.5525   -1.1770    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3938   -2.2231    0.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7284   -1.8484    0.0484 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7428   -2.7042    0.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7711   -1.8355    0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1460   -2.3222    0.0376 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3249   -3.5493    0.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0433   -1.4678    0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4533   -0.4854    0.0434 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.1426   -0.5240    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3194    0.5466    0.0510 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9397    0.1695    0.0560 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.8106    0.9586    0.0607 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384    2.2170    0.0596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7943   -0.3928    0.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422    1.2938    0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$