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

Systemtic Name: 3-methyl-8-(2-oxidanylidenepropylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-allyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-oxopropylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-oxopropylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 8-(acetonylthio)-7-allyl-3-methyl-xanthine Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H14N4O3S/c1-4-5-16-8-9(13-12(16)20-6-7(2)17)15(3)11(19)14-10(8)18/h4H,1,5-6H2,2-3H3,(H,14,18,19)