Molecule Editor

Molecule ID: FYI-1008811 Edit

Molecule Structure InChIKey: XZIIBRSVJRQEHT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1cnnc(N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008811
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   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
  2  1  1  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008811-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    1.4460    1.6699    0.1794 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3007    0.6154    0.2621 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203   -1.7277    0.1281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8144   -0.0225   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6575   -0.2313    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.1810   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1291   -0.4057    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115   -0.8920   -0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495    1.4439   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8314   -0.6310    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829    0.8449   -1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9189   -0.8836   -1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3070   -1.1150    1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457    0.6249    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5204    0.4783   -0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2815   -1.2754   -0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7141   -0.5547    1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618   -1.9056   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4728    2.3307   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469   -2.6330    0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841   -1.5229    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$