Molecule Editor

Molecule ID: FYI-1016199 Edit

Molecule Structure InChIKey: JNENFGZNZZLEOC-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=NCNc2nccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016199
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016199-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
   -1.1338    1.4424    0.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898   -0.7593    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420    1.3851    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435   -1.4159   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544    0.7401    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.6418    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3876    0.7146   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2406   -1.3424    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3597    0.6265   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -0.7494   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9464    1.0344   -0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9746    1.0470    0.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211    2.4539    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098   -2.4445    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    1.1659   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2086   -1.3551   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$