Molecule FYI-1013733

A

Molecule Summary:

ID: FYI-1013733
Names:
InChIKey: RVQURJYOAOMQJJ-UHFFFAOYSA-N
SMILES: CC(C)S(=O)(=O)c3cc(c1ncccn1)nc4c(C2CCC(F)(F)CC2)cnn34

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013733 Edit

Molecule Structure InChIKey: RVQURJYOAOMQJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)S(=O)(=O)c3cc(c1ncccn1)nc4c(C2CCC(F)(F)CC2)cnn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013733
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6995    8.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   10.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
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 24  9  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013733-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.0132   -1.3477    2.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479   -1.3817    2.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229   -2.5841    3.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277   -1.4239    0.9367 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4898   -2.6133    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9890   -2.5707    0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6762   -3.9111    1.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5905   -5.1066    1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0144   -3.9058    1.1825 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8237    1.6291    0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7100    1.2646   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4747   -0.0516   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1537   -0.1905    1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7127   -1.4209    1.3539 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1531    1.0267    1.2135 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5859   -0.2477    1.0602 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1382    2.8560    1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1106👍, 0💬