Molecule Editor

Molecule ID: FYI-1016015 Edit

Molecule Structure InChIKey: OSJUNMSWBBOTQU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1cnc(N(=O)=O)c1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016015
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.9950    3.6223    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016015-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -0.7555    2.2894   -0.0002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2191    1.2759   -0.0002 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7062   -0.8647    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6873   -0.2209    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863   -1.5576   -0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    0.0666    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5974    0.6034    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4852   -0.2444    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -1.5084   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0808    0.1608    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874   -2.3653   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2804    0.7476    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807    0.7472   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7052   -0.7365    0.0006 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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$