Molecule Editor

Molecule ID: FYI-1006185 Edit

Molecule Structure InChIKey: AUJOUDFXVMOQED-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2nc1ncnn1c(N)c2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006185
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  7  1  0  0  0  0
  3 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006185-3D
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1501    0.0916    0.0552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5213   -0.0022    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1905    1.1168    0.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    1.0220    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4478    1.9848    0.0655 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6323    1.3160    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5554   -0.0142    0.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2056   -0.2108    0.0279 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5049   -1.4340    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2386   -2.6288    0.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570   -1.3936    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093   -2.4962    0.0992 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483    1.0424    0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6959   -0.5848    0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5905    1.8202    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2199   -2.4468    0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8294   -3.3271    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988   -3.3141   -0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4824   -2.3048   -0.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$