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

Systemtic Name: 8-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O3S/c1-19-12-11(13(22)20(2)15(19)23)17-14(18-12)24-7-10(21)8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H,17,18)