Molecule Editor

Molecule ID: FYI-1013225 Edit

Molecule Structure InChIKey: KIXCYMCRLTZRQK-WPDLWGESSA-N

Molecule Structure SMILES String: C/C(=C\C(C)(O)C(C)(C)c1ccccc1)n3nc2ccccc2n3.C=C(C=O)C(C)(C)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013225
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    9.1870    9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  4  1  0  0  0  0
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 10 23  1  0  0  0  0
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 26 25  1  0  0  0  0
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 28 26  1  0  0  0  0
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 25 35  1  0  0  0  0
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 35 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013225-3D
FYIcenter.com

 74 76  0  0  1  0  0  0  0  0999 V2000
    1.8239   -0.4380   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8473    4.2002   -3.6480 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3475   -1.2756   -0.4162 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8002   -3.2733    2.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8481   -2.9396    1.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$