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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 8-(isobutylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O2S/c1-8(2)6-18-10-11(15-14(18)21-7-9(3)4)17(5)13(20)16-12(10)19/h9H,1,6-7H2,2-5H3,(H,16,19,20)