Molecule FYI-1005066

A

Molecule Summary:

ID: FYI-1005066
Names:
InChIKey: UELYDGOOJPRWGF-UHFFFAOYSA-N
SMILES: CC(O)C(C)Oc3nc(Nc2ccc(S(=N)(=O)C1CC1)cc2)ncc3C(F)(F)F

Received at FYIcenter.com on: 2023-10-12

Molecule ID: FYI-1005066 Edit

Molecule Structure InChIKey: UELYDGOOJPRWGF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)C(C)Oc3nc(Nc2ccc(S(=N)(=O)C1CC1)cc2)ncc3C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1005066
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.3120    8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8871    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5244    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 26  1  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005066-3D
FYIcenter.com

 50 52  0     1  0  0  0  0  0999 V2000
   -5.4026    0.2468    0.1877 S   0  0  1  0  0  0  0  0  0  0  0  0
    6.1438    1.2436   -0.1034 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4338   -0.3821    1.1539 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966   -0.5887   -1.0047 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0312    0.3848   -1.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350   -1.2228    0.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097   -4.0882    0.4167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0121    0.6977    1.5355 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570    2.5735   -0.1274 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    0.6555    0.0332 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873    2.8416   -0.1927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1552   -1.5957    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6020    2.2553   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1707👍, 0💬