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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O3S/c1-4-5-16-8-9(13-12(16)20-6-7(2)17)15(3)11(19)14-10(8)18/h4-6H2,1-3H3,(H,14,18,19)