Molecule FYI-1016101

A

Molecule Summary:

ID: FYI-1016101
Names:
InChIKey: HQPQQXAJVCTCNB-UHFFFAOYSA-N
SMILES: NNc2c(C(N)=O)c1c(N)nc(C(F)(F)F)nc1n2C3OC(CO)C(O)C3O

Received at FYIcenter.com on: 2025-11-16

Molecule ID: FYI-1016101 Edit

Molecule Structure InChIKey: HQPQQXAJVCTCNB-UHFFFAOYSA-N

Molecule Structure SMILES String: NNc2c(C(N)=O)c1c(N)nc(C(F)(F)F)nc1n2C3OC(CO)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016101
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
   10.9118    5.9420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2102    7.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    8.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    9.0741    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6134    9.5877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1270    7.6709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    7.1573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1053    5.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    5.6503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900    6.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    6.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158    7.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203    7.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955    6.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5548    8.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2630    9.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3150    3.5116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 28 39  1  0  0  0  0
 28 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016101-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
    1.3582    0.1255    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622    0.0909    0.0819 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688    0.9906    0.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2691    1.9360    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9091    2.0804   -0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4621    3.2898   -0.8564 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    1.1865   -1.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4982    2.6290    1.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3186    3.6590    2.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2356    4.3785    1.7016 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432    4.0032    3.7622 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925    3.3463    4.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    3.7200    6.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3452    4.6143    6.4496 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954    4.2744    6.4845 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    2.6360    6.8992 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    2.3547    4.2098 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6617    2.0418    2.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496    1.0240    2.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0995    0.1535    3.1129 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0883   -1.2088    2.6355 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2011   -3.2778    4.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 44  1  0  0  0  0
M  END
$$$$

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2026-04-13, 288👍, 0💬