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2-(8-Bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide
SpectraBase Compound ID FuQvWrK1Dso
InChI InChI=1S/C16H16BrN5O3/c1-9-4-6-10(7-5-9)18-11(23)8-22-12-13(19-15(22)17)20(2)16(25)21(3)14(12)24/h4-7H,8H2,1-3H3,(H,18,23)
InChIKey CXTSCMYUBIAVHZ-UHFFFAOYSA-N
Mol Weight 406.24 g/mol
Molecular Formula C16H16BrN5O3
Exact Mass 405.043652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4haOYeBFaql
Name 2-(8-Bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methylphenyl)acetamide
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Formula C16H16BrN5O3
InChI InChI=1S/C16H16BrN5O3/c1-9-4-6-10(7-5-9)18-11(23)8-22-12-13(19-15(22)17)20(2)16(25)21(3)14(12)24/h4-7H,8H2,1-3H3,(H,18,23)
InChIKey CXTSCMYUBIAVHZ-UHFFFAOYSA-N
Molecular Weight 406.240 g/mol
SMILES N(C(C[n]1c2c(nc1Br)N(C(N(C)C2=O)=O)C)=O)c1ccc(cc1)C
SPLASH splash10-0a6r-8943100000-3a15f02e0a0f5f0feb07
Synonyms 2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methylphenyl)acetamide 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(p-tolyl)acetamide 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(p-tolyl)acetamide 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylphenyl)ethanamide
Wiley ID 1460186