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acetamide, 2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(2-phenylethyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

acetamide, 2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(2-phenylethyl)-
SpectraBase Compound ID DaFUaalgDyJ
InChI InChI=1S/C24H24ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-10-6-7-11-18(17)25)23(27-21)34-15-19(31)26-13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKey HHBRTAUGKMIQRQ-UHFFFAOYSA-N
Mol Weight 498.0 g/mol
Molecular Formula C24H24ClN5O3S
Exact Mass 497.128839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 711IrxquBMC
Name 2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide
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Formula C24H24ClN5O3S
InChI InChI=1S/C24H24ClN5O3S/c1-28-21-20(22(32)29(2)24(28)33)30(14-17-10-6-7-11-18(17)25)23(27-21)34-15-19(31)26-13-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,26,31)
InChIKey HHBRTAUGKMIQRQ-UHFFFAOYSA-N
Molecular Weight 498.001 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1c(Cl)cccc1)C(=O)N(C(N2C)=O)C)=O)CCc1ccccc1
SPLASH splash10-004i-6900000000-ce64579f7e5a0726ffa3
Synonyms 2-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide 2-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2-phenylethyl)acetamide 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-phenylethyl)acetamide 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2-phenylethyl)acetamide
Wiley ID 1453725