Molecule Editor

Molecule ID: FYI-1009077 Edit

Molecule Structure InChIKey: POYJJGBBXYWWNI-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1009077
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   11.4244   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 N   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
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Br  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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
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 23 22  1  0  0  0  0
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 27 26  2  0  0  0  0
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 33 24  1  0  0  0  0
 33 20  1  0  0  0  0
 34 33  2  0  0  0  0
 34 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009077-3D
FYIcenter.com

 64 66  0  0  1  0  0  0  0  0999 V2000
    2.5831    1.2726   -0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2664   -0.0931    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555   -0.3436    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105   -1.2396   -0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5519   -1.1423   -0.6507 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1373   -1.0041    0.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3469   -0.3942    0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822    0.1608    0.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7073   -0.4714    2.1983 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    0.1554    2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0159   -0.1122    4.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -0.4791    2.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7831   -5.2616   -5.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2429   -6.1706   -6.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$