8-chloranyl-9-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-9-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-9-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-9-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-9-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-9-[2-(3,4-dichlorophenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H11Cl3N4O3 MolecularWeight: 401.63184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC(=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC(=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C15H11Cl3N4O3/c1-20-12-11(13(24)21(2)15(20)25)19-14(18)22(12)6-10(23)7-3-4-8(16)9(17)5-7/h3-5H,6H2,1-2H3