Molecule Editor

Molecule ID: FYI-1001621 Edit

Molecule Structure SMILES String: NC1=NC(=O)c2ncn(COCCO)c2N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001621
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.5759    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1431    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6474    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5842    4.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7738    1.6226    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  2  0  0  0  0
  6  4  1  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001621-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2028    0.1156    0.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    0.0319    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380   -1.1304    0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5308   -1.2133   -0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299   -2.2833   -0.1054 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2360    0.0800   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5831    0.3734   -0.0328 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    1.6911    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3970    2.2678    0.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1267    3.6894   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257    4.0258    1.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1081    5.4411    1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3003    5.7526    2.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    5.3862    3.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.2427   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678    1.2553   -0.0095 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555   -0.7836    0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7422    0.8670   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5590    2.2713    0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883    3.9085   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    4.2273    0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5585    5.7681    0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770    5.9502    1.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595    5.1937    2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803    6.8223    2.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2435    4.4361    3.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    2.0832    0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$