Molecule Editor

Molecule ID: FYI-1008654 Edit

Molecule Structure InChIKey: HXGZGRXLJLWUTE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(=O)Nc1nc(C)cc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008654
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008654-3D
FYIcenter.com

 32 32  0     1  0  0  0  0  0999 V2000
    1.7112    1.2894    0.4240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146   -0.7463    0.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297   -1.3590   -0.2156 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0053    0.9332    0.1883 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0285   -0.7175    0.1593 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1965    0.1279   -0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3583   -1.2443    1.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187    0.0769    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9143    0.7093   -1.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -0.3698   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200   -0.9650   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3145    1.2568    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3255    0.3415   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412   -2.0271   -0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6566    2.6941    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -1.5723   -0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989   -0.4931   -0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180    0.9518    0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4934   -0.4228    2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763   -1.8409    1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -1.8784    1.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -0.0818   -2.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046    1.2245   -2.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    1.4363   -1.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7727   -1.7405   -0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3695    0.6297   -0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5160   -1.8109   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4685   -3.0068   -0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6260   -2.0901    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539    3.2950    0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820    3.0907   -0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2926    2.8106    1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$