Molecule Editor

Molecule ID: FYI-1016092 Edit

Molecule Structure InChIKey: IODWHFFPQHUDAG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc1nc(N)sc1cc2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016092
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    6.9282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.1710    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
    3.4282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    2.0923    0.0000 S   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
    2.4914    0.1306    0.0000 N   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016092-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -2.0317    1.4761   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8503   -1.0967    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0530   -0.2454   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8727   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    0.7917   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5540   -0.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955    1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6303   -1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    1.3460    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101   -1.5687   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7017   -0.0977    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8487    2.5265   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606   -2.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8521    1.0796    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524    1.0793   -0.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    2.4364   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7101   -1.3711   -0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107   -1.3707    0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758   -2.6390    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6781    0.5539   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4906   -1.1609   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  2  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  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
M  END
$$$$