7-butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-butyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-butyl-8-(isoamylthio)-3-methyl-xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N4O2S/c1-5-6-8-19-11-12(18(4)14(21)17-13(11)20)16-15(19)22-9-7-10(2)3/h10H,5-9H2,1-4H3,(H,17,20,21)