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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-isopentyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-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(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

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