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

Systemtic Name: 8-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H12Cl2N4O3S MolecularWeight: 399.25178

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H12Cl2N4O3S/c1-20-12-11(13(23)21(2)15(20)24)18-14(19-12)25-6-10(22)7-3-4-8(16)9(17)5-7/h3-5H,6H2,1-2H3,(H,18,19)