Molecule Editor

Molecule ID: FYI-1003035 Edit

Molecule Structure InChIKey: BOXGZKHQZSJSRH-ONEGZZNKSA-N

Molecule Structure SMILES String: CCc1nc(CS/C=C/N)nc(N)c1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003035
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    2.4249    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003035-3D
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.3878    0.3866   -1.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    0.0723   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9104   -1.1179    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480   -2.3107    0.3285 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881   -3.4299    0.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3832   -4.7697    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1666   -4.8177   -1.3837 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -6.3995   -1.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1418   -6.7738   -2.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386   -7.9871   -3.2739 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6976   -3.4288    2.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1126   -2.2273    2.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424   -2.2145    3.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8117   -1.0113    1.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2186    0.2141    2.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993    1.2164   -1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124   -0.4782   -1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3796    0.6692   -0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445   -0.1485   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098    0.9478    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4295   -4.9864    0.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0988   -5.5511    0.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182   -7.0834   -0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215   -6.0747   -3.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399   -8.7567   -2.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   -8.2155   -4.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811   -3.1690    3.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5480   -1.5764    4.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0990    0.0818    2.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    0.9718    1.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$