3-methyl-9-(3-methylbutyl)-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-9-(3-methylbutyl)-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 9-isopentyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-9-(3-methylbutyl)-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 3-methyl-9-(3-methylbutyl)-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 9-isoamyl-8-(isoamylthio)-3-methyl-xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C(=O)NC(=O)N2C)N=C1SCCC(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C(=O)NC(=O)N2C)N=C1SCCC(C)C

InChI

InChI=1S/C16H26N4O2S/c1-10(2)6-8-20-14-12(13(21)18-15(22)19(14)5)17-16(20)23-9-7-11(3)4/h10-11H,6-9H2,1-5H3,(H,18,21,22)