Molecule Editor

Molecule ID: FYI-1009075 Edit

Molecule Structure InChIKey: JUBMOVBFVJPSAO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)NCC(=O)Nc3ccc2ncnc(Nc1cccc(Br)c1)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009075
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.1871    9.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   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 C   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    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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 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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  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  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
 29 20  1  0  0  0  0
 29 16  1  0  0  0  0
 30 29  2  0  0  0  0
 30 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009075-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
    8.1373   -0.8926   -2.1174 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.9764   -0.7389   -0.6864 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5757   -0.9539    1.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923    1.0270   -0.8624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2926   -0.2753   -0.3770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7868   -1.1309   -1.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -0.4770    0.7023 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    3.5206    0.2536 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3383    1.7871    0.7016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0801   -0.5289    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3262   -0.3165   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7930    0.7095    1.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2383   -1.7674    1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327    1.2248    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801    0.6708   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7615    2.5957    0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    0.2665    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    0.8873    0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7633   -0.9422   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    2.0252   -0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037   -1.3693   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    2.9721   -0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9504   -1.4623   -0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794   -3.0072    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2567   -2.5855    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5291    0.1048   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222   -2.6446    2.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1744   -3.1435   -0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 47  1  0  0  0  0
  8 16  1  0  0  0  0
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  9 25  1  0  0  0  0
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 17 40  1  0  0  0  0
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 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$