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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-3-methyl-7-(2-methylallyl)xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-7(2)6-17-9-10(14-13(17)20-8(3)4)16(5)12(19)15-11(9)18/h8H,1,6H2,2-5H3,(H,15,18,19)