Molecule Editor

Molecule ID: FYI-1004974 Edit

Molecule Structure InChIKey: WSBCHBFVDJIOTJ-PJQLUOCWSA-N

Molecule Structure SMILES String: C/C=C(CC3=Cn2c(nc1ncnc(N)c12)OC3)/NC(=O)O/N=C(N)/c4cc(CCCC(C)(C)C)on4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004974
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
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    9.4905    8.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0695    6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8672    8.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 17  8  1  0  0  0  0
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 19 18  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  2  0  0  0  0
 21  2  1  0  0  0  0
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 23 22  2  0  0  0  0
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 20 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004974-3D
FYIcenter.com

 68 71  0  0  0  0  0  0  0  0999 V2000
    4.3779   -2.2485    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0987   -1.5281   -4.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8144   -1.0558   -4.3557 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1507   -1.4355   -3.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0400   -0.8807    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    1.4674    0.3749 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474    2.6368    0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9554    3.7144    0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9080    2.4886    0.4536 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$