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acetamide, N-(2-phenylethyl)-2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(2-propenyl)-1H-purin-8-yl]thio]-
SpectraBase Compound ID FMhTQ5CEVV2
InChI InChI=1S/C20H23N5O3S/c1-4-12-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)29-13-15(26)21-11-10-14-8-6-5-7-9-14/h4-9H,1,10-13H2,2-3H3,(H,21,26)
InChIKey CHOFNWPXSHPQKD-UHFFFAOYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C20H23N5O3S
Exact Mass 413.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cG9zEBh8y
Name 2-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-phenethyl-acetamide
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Formula C20H23N5O3S
InChI InChI=1S/C20H23N5O3S/c1-4-12-25-16-17(23(2)20(28)24(3)18(16)27)22-19(25)29-13-15(26)21-11-10-14-8-6-5-7-9-14/h4-9H,1,10-13H2,2-3H3,(H,21,26)
InChIKey CHOFNWPXSHPQKD-UHFFFAOYSA-N
Molecular Weight 413.496 g/mol
SMILES N(C(CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CC=C)=O)CCc1ccccc1
SPLASH splash10-0f6x-9550100000-6367292d9f75d6d165af
Synonyms 2-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]-N-(2-phenylethyl)acetamide 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanyl-N-(2-phenylethyl)acetamide 2-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-phenylethyl)acetamide
Wiley ID 1453354