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acetamide, 2-[(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-N-(2-phenylethyl)-
SpectraBase Compound ID 677dd8gLIm
InChI InChI=1S/C19H23N5O3S/c1-4-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)28-12-14(25)20-11-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,25)
InChIKey QRXYXTDZGCVOJT-UHFFFAOYSA-N
Mol Weight 401.49 g/mol
Molecular Formula C19H23N5O3S
Exact Mass 401.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SV5lQ5sMMc
Name 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(2-phenylethyl)acetamide
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Formula C19H23N5O3S
InChI InChI=1S/C19H23N5O3S/c1-4-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)28-12-14(25)20-11-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,25)
InChIKey QRXYXTDZGCVOJT-UHFFFAOYSA-N
Molecular Weight 401.485 g/mol
SMILES N(C(CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1CC)=O)CCc1ccccc1
SPLASH splash10-0fs7-9450000000-2c8a0a127c5a4b975b99
Synonyms 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-phenethyl-acetamide 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(2-phenylethyl)acetamide 2-(7-Ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2-phenylethyl)acetamide 2-(7-Ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2-phenylethyl)acetamide
Wiley ID 1453378