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

Systemtic Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)SC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C

InChI

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