Molecule Editor

Molecule ID: FYI-1004630 Edit

Molecule Structure InChIKey: KSVAPTZCTBRISM-XNJYKOPJSA-N

Molecule Structure SMILES String: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(c1cncnc1N)COC2)no3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004630
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   16.6344    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.5710    0.0000 O   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  5  2  0  0  0  0
  8  7  1  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 11  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29  9  2  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004630-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.4392   -2.6480   -3.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1318   -3.2406   -3.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0922   -3.7065   -2.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   -4.1615   -3.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590   -4.7657   -3.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460   -5.2261   -4.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955   -4.7822   -2.2508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6824   -5.4969   -2.0149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2819   -5.0022   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4317   -3.8057   -0.6346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8280   -5.9685   -0.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5738   -7.3310   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3073   -7.7517   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -9.0853   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4465  -10.2382   -0.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8256   -8.1846    0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2011   -8.5931    1.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4963   -8.3224    2.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6767   -8.9871    3.8490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5899   -9.2556    4.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7888   -9.5181    6.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5691   -9.6424    6.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8674   -9.5349    3.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4365   -9.4429    1.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2971  -10.4460    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  1  0  0  0  0
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  6 36  1  0  0  0  0
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 30 31  1  0  0  0  0
M  END
$$$$