Molecule Editor

Molecule ID: FYI-1016216 Edit

Molecule Structure InChIKey: OMJKFYKNWZZKTK-UXBLZVDNSA-N

Molecule Structure SMILES String: CN(C)NN=c1ncnc1C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016216
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.3264    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5388    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0548    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  2  1  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016216-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    0.5118    2.2675    0.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608   -0.4694    0.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -0.1732    0.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076   -1.2815    0.1390 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7603   -1.9422    0.1068 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6267    0.1723   -0.0359 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547    2.1087   -1.3332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538   -1.0191    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3401    0.3294   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4114    0.7816    0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1472   -1.2389   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7284    1.6648   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8258   -1.2002    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1728    0.2875   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421    1.3608    1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4698    0.5738    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3407    1.4103   -0.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0200   -0.7109   -1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2154   -1.4556   -0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6526   -2.2144   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440   -1.6168    0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303    3.0169   -1.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616    1.5522   -2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5 13  2  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$