3-methyl-7-(2-methylpropyl)-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(methylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-(methylthio)xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H16N4O2S/c1-6(2)5-15-7-8(12-11(15)18-4)14(3)10(17)13-9(7)16/h6H,5H2,1-4H3,(H,13,16,17)