1,3-dimethyl-8-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl]sulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-[4-(methylthio)phenyl]-2-oxoethyl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(4-methylsulfanylphenyl)-2-oxoethyl]sulfanyl-7H-purine-2,6-dione Traditional Name: 8-[[2-keto-2-[4-(methylthio)phenyl]ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C16H16N4O3S2/c1-19-13-12(14(22)20(2)16(19)23)17-15(18-13)25-8-11(21)9-4-6-10(24-3)7-5-9/h4-7H,8H2,1-3H3,(H,17,18)