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

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-(isoamylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c1-9(2)6-7-22-15-16-12-11(19(15)8-10(3)4)13(20)17-14(21)18(12)5/h9H,3,6-8H2,1-2,4-5H3,(H,17,20,21)