Molecule Editor

Molecule ID: FYI-1009171 Edit

Molecule Structure InChIKey: FFXMKIMWVSSYEV-MRXNPFEDSA-N

Molecule Structure SMILES String: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3cc(Cl)ccc3C(=O)O)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009171
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    6.0623   10.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.5043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   11.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   12.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.4042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125   10.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8456    1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9456    2.4637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456    3.6761    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
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 15  3  1  0  0  0  0
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 21 20  3  0  0  0  0
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 32 33  1  6  0  0  0
 34 32  1  0  0  0  0
 34 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009171-3D
FYIcenter.com

 59 62  0     1  0  0  0  0  0999 V2000
    4.7499    0.7103    3.6439 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9955   -0.8151   -1.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    3.5664   -0.1309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5756   -2.5978   -1.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4707    0.4161   -1.2893 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5644    1.3715   -0.7763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3255   -0.2634   -0.6829 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$