Molecule FYI-1003108

A

Molecule Summary:

ID: FYI-1003108
Names:
InChIKey: QCBUPOCSORRENL-WOJGMQOQSA-N
SMILES: CN(C)c3ccc(/C=N/n1c(S)nnc1c2ccccc2O)cc3

Received at FYIcenter.com on: 2023-05-12

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
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    6.6717    9.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6312   10.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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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 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
    5.4968   -1.3317  -10.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2551   -0.7361  -10.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -1.0263   -9.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063   -1.9247   -8.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1997   -2.2620   -7.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005   -0.7080   -3.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3873   -3.1720   -1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2699   -5.1183   -3.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9590   -2.6851   -9.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8556   -0.0675  -11.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8900    0.9032   -2.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 21  2  0  0  0  0
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 17 35  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 867👍, 0💬