Molecule Editor

Molecule ID: FYI-1004774 Edit

Molecule Structure InChIKey: GKSKMWRLMRDTEA-LHHJGKSTSA-N

Molecule Structure SMILES String: CC(C)(C)CCc4cc(/C(N)=N/OC(=O)N/C(=C/CN)CC3=Cn2c(nc1ncnc(N)c12)OC3)no4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004774
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
   10.1756    6.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756    8.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3880    8.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    8.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8130    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8130    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0254    3.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3165    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7088    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2783    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4554    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7095    2.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796    6.7350    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
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004774-3D
FYIcenter.com

 67 70  0  0  0  0  0  0  0  0999 V2000
   11.8985    6.2743   -2.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0310    5.5093   -3.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274    3.8526   -2.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3048    5.9450    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    5.6285    1.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3911    5.6489    2.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140    5.4025    3.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1222    4.8859    5.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5795    1.8285    7.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7712    1.5427    9.0345 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    3.6746    9.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9252    3.5022    9.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$