Molecule Editor

Molecule ID: FYI-1015754 Edit

Molecule Structure InChIKey: JABBOSBXQIXTPB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1cnc(N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015754
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.3588    2.0923    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
    2.7282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015754-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    1.0872   -0.1196   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7247    1.1647    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3700   -0.5734    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219   -0.9754   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0851   -0.1596    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898    1.1540   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4809   -0.4907    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408   -2.0504    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    2.0278    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -0.5649    1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952   -1.4525   -0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543    0.2743   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467    0.0802    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6320   -1.5546   -0.0003 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  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$