Molecule Editor

Molecule ID: FYI-1016240 Edit

Molecule Structure InChIKey: OZIUSLVSAVIYGG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc(Nc3ncc2c(C)cc(=O)n(C1CCC1)c2n3)cc(OC)c4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016240
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9018    7.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9219    7.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  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 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 23 12  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016240-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.9774   -0.0820    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893    0.0961    0.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8863    1.0899   -0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    2.1861   -0.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    3.2631   -1.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8538    4.3816   -1.8517 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186    4.8653   -1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    4.7969    0.2936 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    5.1376    1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    5.5674    0.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097    5.9135    1.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    5.7460    2.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002    6.4038    0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5978    6.5971   -0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009    7.1665   -1.0416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5618    6.1045   -1.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396    6.2129   -2.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617    6.0408   -3.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097    5.2744   -4.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545    4.9458   -3.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3443    5.6455   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    5.3013   -1.6104 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9785    3.1920   -1.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7854    2.1188   -1.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1142    2.0177   -1.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8240    3.2491   -1.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400    1.0558   -0.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1438    0.0840   -0.3732 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   -1.2430   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615   -0.9764    1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5900   -0.2457   -0.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4715    0.7572    0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688    2.2474   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4983    4.3335   -2.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    5.0297    2.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793    5.3078    3.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2151    5.0886    3.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5258    6.7172    3.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3823    6.6991    1.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1358    7.1237   -3.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696    6.9665   -3.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7546    5.4173   -2.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1252    5.9082   -5.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9754    4.4145   -5.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2643    4.9628   -4.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    3.9964   -3.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850    3.9995   -2.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8941    3.0210   -1.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    3.8981   -1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6193    3.7606   -2.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5053   -1.9219   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9581   -1.5001   -1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1977   -1.4054    0.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
$$$$