Molecule Editor

Molecule ID: FYI-1003731 Edit

Molecule Structure InChIKey: WRYFMDZSFJQZCD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5c(NC(=O)Nc3ccc2[nH]c(c1ccc(C)cc1)nc2c3)ccc4OC(C)(C)C=Cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003731
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.6746    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8558    0.7798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6788    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.2124    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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 34 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003731-3D
FYIcenter.com

 60 64  0  0  0  0  0  0  0  0999 V2000
    0.8953   -1.9837    1.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191   -1.6007    1.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221   -0.2594    1.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8895   -0.0072    1.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523   -1.0918    1.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9505   -1.4733    1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6223   -2.3231    1.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738   -0.9688    3.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456   -0.2014    4.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3801    1.6755    5.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8255    2.9152    5.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    3.8866    5.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    5.2884    5.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    5.5928    6.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    6.9166    7.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7612    9.3654    7.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    7.6703    5.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9218    3.3614    5.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$