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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanyl-acetamide
SpectraBase Compound ID 6Lc3ZYh0SWl
InChI InChI=1S/C29H35N5O5S/c1-6-38-22-13-12-20(16-23(22)39-7-2)14-15-30-24(35)18-40-28-31-26-25(27(36)33(5)29(37)32(26)4)34(28)17-21-10-8-19(3)9-11-21/h8-13,16H,6-7,14-15,17-18H2,1-5H3,(H,30,35)
InChIKey QLVXAWNXLUXWDQ-UHFFFAOYSA-N
Mol Weight 565.7 g/mol
Molecular Formula C29H35N5O5S
Exact Mass 565.23589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bgPctFKXw
Name N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanyl-acetamide
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Formula C29H35N5O5S
InChI InChI=1S/C29H35N5O5S/c1-6-38-22-13-12-20(16-23(22)39-7-2)14-15-30-24(35)18-40-28-31-26-25(27(36)33(5)29(37)32(26)4)34(28)17-21-10-8-19(3)9-11-21/h8-13,16H,6-7,14-15,17-18H2,1-5H3,(H,30,35)
InChIKey QLVXAWNXLUXWDQ-UHFFFAOYSA-N
Molecular Weight 565.689 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1ccc(cc1)C)C(=O)N(C(N2C)=O)C)=O)CCc1cc(OCC)c(cc1)OCC
SPLASH splash10-052f-2900000000-7b3d7280c7fbf6e4f46a
Synonyms N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]thio]acetamide
Wiley ID 1453906