1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-oxidanylidenebutan-2-ylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(1-methyl-2-oxo-propyl)sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione Traditional Name: 8-[(2-keto-1-methyl-propyl)thio]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(=O)C)SC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H20N4O3S/c1-8(2)7-19-11-12(16-14(19)23-10(4)9(3)20)17(5)15(22)18(6)13(11)21/h10H,1,7H2,2-6H3