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2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

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2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
SpectraBase Compound ID FNlPUMClyFB
InChI InChI=1S/C25H24F3N5O3S/c1-4-15-8-10-18(11-9-15)29-19(34)14-37-23-30-21-20(22(35)32(3)24(36)31(21)2)33(23)13-16-6-5-7-17(12-16)25(26,27)28/h5-12H,4,13-14H2,1-3H3,(H,29,34)
InChIKey ASEPWYLKHNUTRZ-UHFFFAOYSA-N
Mol Weight 531.55 g/mol
Molecular Formula C25H24F3N5O3S
Exact Mass 531.155195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ektU4o15M
Name 2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24F3N5O3S
InChI InChI=1S/C25H24F3N5O3S/c1-4-15-8-10-18(11-9-15)29-19(34)14-37-23-30-21-20(22(35)32(3)24(36)31(21)2)33(23)13-16-6-5-7-17(12-16)25(26,27)28/h5-12H,4,13-14H2,1-3H3,(H,29,34)
InChIKey ASEPWYLKHNUTRZ-UHFFFAOYSA-N
Molecular Weight 531.554 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1cc(C(F)(F)F)ccc1)C(=O)N(C)C(=O)N2C)=O)c1ccc(cc1)CC
SPLASH splash10-0a6r-3933110000-bae45e56fe9795c1e7a4
Synonyms 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-N-(4-ethylphenyl)ethanamide 2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanyl-N-(4-ethylphenyl)acetamide 2-[[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-8-purinyl]thio]-N-(4-ethylphenyl)acetamide 2-[[2,6-diketo-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]purin-8-yl]thio]-N-(4-ethylphenyl)acetamide
Wiley ID 1512170