Molecule Editor

Molecule ID: FYI-1008784 Edit

Molecule Structure InChIKey: AWSIYJOVQFOFLB-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ncnc(N)c1I

Download SDF Download SVG Structure in 2D SDF:

FYI-1008784
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 I   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  2  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  1  0  0  0  0
  9  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008784-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
    0.5236   -2.7965   -0.0002 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861   -0.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9452    1.2809   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    1.4547   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8108   -0.4713    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067   -0.7104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    0.1068    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2132    1.9677   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887   -0.0048    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350    3.0479   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253   -1.3905    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006    0.1621    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0283   -0.7064    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2665    0.6105    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667    0.6104   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$