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

Systemtic Name: 8-butan-2-ylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-sec-butylsulfanyl-purine-2,6-dione CAS Name: 8-(butan-2-ylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-butan-2-ylsulfanyl-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(sec-butylthio)xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)SC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

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