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acetamide, 2-[[7-[[4-(1,1-dimethylethyl)phenyl]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-[[4-(1,1-dimethylethyl)phenyl]methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(2-phenylethyl)-
SpectraBase Compound ID 2G8wLGyrYsd
InChI InChI=1S/C28H33N5O3S/c1-28(2,3)21-13-11-20(12-14-21)17-33-23-24(31(4)27(36)32(5)25(23)35)30-26(33)37-18-22(34)29-16-15-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3,(H,29,34)
InChIKey RQLIMVRAHDQVTK-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C28H33N5O3S
Exact Mass 519.230411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19hAhYhslsB
Name 2-[[7-(4-tert-butylbenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide
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Formula C28H33N5O3S
InChI InChI=1S/C28H33N5O3S/c1-28(2,3)21-13-11-20(12-14-21)17-33-23-24(31(4)27(36)32(5)25(23)35)30-26(33)37-18-22(34)29-16-15-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3,(H,29,34)
InChIKey RQLIMVRAHDQVTK-UHFFFAOYSA-N
Molecular Weight 519.664 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1ccc(C(C)(C)C)cc1)C(=O)N(C(N2C)=O)C)=O)CCc1ccccc1
SPLASH splash10-00kb-4900010000-121672e34a8f0ce4493d
Synonyms 2-{[7-(4-tert-butylbenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-phenylethyl)acetamide 2-[[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(2-phenylethyl)acetamide 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(2-phenylethyl)acetamide 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(2-phenylethyl)acetamide
Wiley ID 1464235