Molecule Editor

Molecule ID: FYI-1003185 Edit

Molecule Structure InChIKey: XNBHDZGKQFBHFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C#Cc1noncc1=N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003185
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  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  8  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003185-3D
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.0109   -0.2141    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2099   -0.1451    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437   -0.0213    0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335   -1.1647    0.0272 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6367   -1.1770    0.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4395   -0.0257    0.0244 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8585    1.1192    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3957    1.2410    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7979    2.3928    0.0307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537   -0.2548    0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299    2.0586    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636    3.1719    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$