1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylbutylthio)-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(isoamylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H24N4O2S/c1-10(2)7-8-23-15-17-13-12(20(15)9-11(3)4)14(21)19(6)16(22)18(13)5/h10H,3,7-9H2,1-2,4-6H3