Molecule Editor

Molecule ID: FYI-1015936 Edit

Molecule Structure InChIKey: MOKFODIIPOTEAU-JFIYKMOQSA-N

Molecule Structure SMILES String: CC(C)N5CCCn4nc(C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C23CC3)cc4C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015936
FYIcenter.com

 26 30  0  0  1  0  0  0  0  0999 V2000
    9.7430    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5986    2.1800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7158    2.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8169    4.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8257    5.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4887    5.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    6.0130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487    5.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1777    6.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1777    7.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8357    6.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    5.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4296    6.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5248    5.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1130    3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549    2.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    4.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008    3.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    2.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900    4.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8126    3.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3066    2.5786    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  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  1  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 21  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  2  0  0  0  0
 25  8  1  0  0  0  0
 26 25  1  0  0  0  0
 26  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015936-3D
FYIcenter.com

 56 60  0  0  1  0  0  0  0  0999 V2000
   13.5098   -9.1970   -8.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249   -8.4082   -7.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3669   -7.7433   -7.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9751   -7.4546   -6.9409 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6309   -6.5028   -7.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3609   -5.7213   -7.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829   -4.6400   -6.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5612   -4.4893   -5.8983 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9348   -3.2398   -5.4717 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0374   -3.4640   -4.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8822   -2.4529   -4.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8695   -2.7804   -3.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4714   -1.1573   -4.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1964   -0.0855   -3.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750    1.3222   -3.7660 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9262    1.6047   -3.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5020    3.0657   -2.9018 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6694    2.3688   -2.5797 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6845    3.2786   -1.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6455    4.6716   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2705   -6.9304   -5.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5851   -9.7306   -8.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2317   -9.1359   -6.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2811   -7.0613   -8.5516 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1231   -8.4898   -7.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7429   -7.1864   -6.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6117    2.8153   -2.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2540   -7.2992   -5.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
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  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
$$$$