Molecule Editor

Molecule ID: FYI-1003108 Edit

Molecule Structure InChIKey: QCBUPOCSORRENL-WOJGMQOQSA-N

Molecule Structure SMILES String: CN(C)c3ccc(/C=N/n1c(S)nnc1c2ccccc2O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003108
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.8446    4.3612    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    5.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    6.7710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    7.9835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    7.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2998   10.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    9.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    8.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580    6.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18  5  1  0  0  0  0
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 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003108-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.7706   -0.0787    1.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    0.3364   -0.2204 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    1.4230   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -0.3863   -1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509   -1.5523   -0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539   -2.2691   -1.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8265   -1.8400   -3.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5543   -2.6251   -4.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1207   -2.7262   -5.4340 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7439   -3.6373   -6.2730 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3457   -4.8668   -6.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   -5.7458   -4.5060 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9080   -5.3577   -7.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5965   -4.5313   -8.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8291   -3.5443   -7.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2636   -2.5231   -8.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9943   -2.2099   -9.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0063   -1.9247   -8.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$