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

Systemtic Name: 3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-oxopropylthio)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-oxopropylsulfanyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(acetonylthio)-7-isopropyl-3-methyl-xanthine Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O3S/c1-6(2)16-8-9(13-12(16)20-5-7(3)17)15(4)11(19)14-10(8)18/h6H,5H2,1-4H3,(H,14,18,19)