1-methyl-7-(3-methylbutyl)-8-(2-methylpropylsulfanyl)-3H-purine-2,6-dione

Systemtic Name: 1-methyl-7-(3-methylbutyl)-8-(2-methylpropylsulfanyl)-3H-purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-7-isopentyl-1-methyl-3H-purine-2,6-dione CAS Name: 1-methyl-7-(3-methylbutyl)-8-(2-methylpropylthio)-3H-purine-2,6-dione IUPAC Name: 1-methyl-7-(3-methylbutyl)-8-(2-methylpropylsulfanyl)-3H-purine-2,6-dione Traditional Name: 7-isoamyl-8-(isobutylthio)-1-methyl-xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(NC(=O)N(C2=O)C)N=C1SCC(C)C

Isomeric SMILES

CC(C)CCN1C2=C(NC(=O)N(C2=O)C)N=C1SCC(C)C

InChI

InChI=1S/C15H24N4O2S/c1-9(2)6-7-19-11-12(16-14(21)18(5)13(11)20)17-15(19)22-8-10(3)4/h9-10H,6-8H2,1-5H3,(H,16,21)