Molecule Editor

Molecule ID: FYI-1001014 Edit

Molecule Structure SMILES String: C1=CC=CC2N(P)C(NC(=O)P)=NC1=2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001014
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.2531    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    2.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7433    3.0292    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.1710    0.0000 C   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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 13  1  0  0  0  0
 14  1  1  0  0  0  0
 14  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001014-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.7536   -1.3875   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204   -0.7988   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1577    0.5884    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388    1.4310    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2258    0.8236    0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.2798    0.0516 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774    2.9154    0.1672 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.3853    0.2012   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7587    0.3124   -0.0583 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5657   -0.7850   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2909   -1.9650   -0.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322   -0.4364   -0.2180 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6973   -0.9164   -0.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -0.5604   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6321   -2.4651   -0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9037   -1.4330   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1557    1.0234    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.5076    0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    3.5148   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8538    2.9898   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1838    1.2224    0.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200    0.6714   -1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6795   -1.4758   -1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$