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2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-(4-fluoro-3-methyl-phenyl)acetamide

View entire compound with spectra: 1 MS (GC)

2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-(4-fluoro-3-methyl-phenyl)acetamide
SpectraBase Compound ID BIFMY03tA6f
InChI InChI=1S/C24H24FN5O3S/c1-14-7-5-6-8-16(14)12-30-20-21(28(3)24(33)29(4)22(20)32)27-23(30)34-13-19(31)26-17-9-10-18(25)15(2)11-17/h5-11H,12-13H2,1-4H3,(H,26,31)
InChIKey IBZMMFSSFOLWON-UHFFFAOYSA-N
Mol Weight 481.55 g/mol
Molecular Formula C24H24FN5O3S
Exact Mass 481.158389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTsUybXSHcn
Name 2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-(4-fluoro-3-methyl-phenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24FN5O3S
InChI InChI=1S/C24H24FN5O3S/c1-14-7-5-6-8-16(14)12-30-20-21(28(3)24(33)29(4)22(20)32)27-23(30)34-13-19(31)26-17-9-10-18(25)15(2)11-17/h5-11H,12-13H2,1-4H3,(H,26,31)
InChIKey IBZMMFSSFOLWON-UHFFFAOYSA-N
Molecular Weight 481.546 g/mol
SMILES N(C(CSc1[n](c2C(=O)N(C(=O)N(c2n1)C)C)Cc1c(cccc1)C)=O)c1ccc(c(c1)C)F
SPLASH splash10-0a4i-3911100000-392592fd21f9b7d4cc25
Synonyms 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-fluoranyl-3-methyl-phenyl)ethanamide 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanyl-N-(4-fluoro-3-methylphenyl)acetamide 2-[[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-N-(4-fluoro-3-methylphenyl)acetamide 2-[[2,6-diketo-1,3-dimethyl-7-(2-methylbenzyl)purin-8-yl]thio]-N-(4-fluoro-3-methyl-phenyl)acetamide
Wiley ID 1445684