3-methyl-8-(2-methylpropylsulfanyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylthio)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(isobutylthio)-7-isopropyl-3-methyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2S/c1-7(2)6-20-13-14-10-9(17(13)8(3)4)11(18)15-12(19)16(10)5/h7-8H,6H2,1-5H3,(H,15,18,19)