Molecule Editor

Molecule ID: FYI-1006820 Edit

Molecule Structure InChIKey: VGHHGNJAKRKRIM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCSCCNC(=O)c3cn(C(=O)c2ccnc(Oc1ccccc1)c2)c4cccnc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006820
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   15.0896    1.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200    2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3430    3.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7353    3.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5582    4.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9505    4.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7734    5.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1657    5.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9887    6.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
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 12  7  1  0  0  0  0
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 16  2  1  0  0  0  0
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 22 21  1  0  0  0  0
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 26 25  1  0  0  0  0
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 34 16  1  0  0  0  0
 35 24  2  0  0  0  0
 34 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006820-3D
FYIcenter.com

 62 65  0  0  0  0  0  0  0  0999 V2000
    4.8374   -8.5883    3.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2644   -8.5146    1.7797 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070   -8.6025    1.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7213   -7.2645    1.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5117   -5.1500   -2.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9261   -5.5142   -3.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0930   -5.5661   -3.1577 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1794   -5.8544   -4.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2763   -6.0834   -3.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2669   -4.8940   -6.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1546   -4.9399   -7.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7963   -5.8453   -8.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6303   -6.7165   -7.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4018   -7.5788   -8.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$