3,7-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 8-(isobutylthio)-3,7-dimethyl-xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

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