Molecule Editor

Molecule ID: FYI-1006784 Edit

Molecule Structure InChIKey: YZVXFDAFHJYLOY-JAVCKPHESA-N

Molecule Structure SMILES String: C[C@H](N)C2=CN1CC=NC1C=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006784
FYIcenter.com

 12 13  0  0  1  0  0  0  0  0999 V2000
    7.0042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  0  0  0
  4  2  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  2  0  0  0  0
 10  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006784-3D
FYIcenter.com

 25 26  0     1  0  0  0  0  0999 V2000
   -1.1274   -0.6875   -0.4500 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8027    0.8524    0.3004 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414    0.1998   -0.9451 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587    0.7096   -0.4917 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1782   -0.1741   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -1.4751   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1956   -1.0574   -0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6207   -0.5463    0.0082 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4649    1.6297   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8060    1.2125    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1570   -0.3829    0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222   -0.2806    1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917    0.9808   -1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -2.1611    0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400   -2.0071   -0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678   -2.1222   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -1.6158   -0.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7118    2.6702    0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5623    1.9221    0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0813   -0.6472    1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522    0.7853    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1410   -0.6671    1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4931   -0.7849    2.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -0.0968   -1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248   -0.0300   -0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$