3-methyl-7-(3-methylbutyl)-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(2-methylallylthio)xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCC(=C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCC(=C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O2S/c1-9(2)6-7-19-11-12(16-15(19)22-8-10(3)4)18(5)14(21)17-13(11)20/h9H,3,6-8H2,1-2,4-5H3,(H,17,20,21)