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

Systemtic Name: 3-(3-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1-ethyl-purine-2,6-dione Openeye Name: 3-(3-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxo-ethyl]-1-ethyl-purine-2,6-dione CAS Name: 3-(3-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxoethyl]-1-ethylpurine-2,6-dione IUPAC Name: 3-(3-chlorophenyl)-7-[2-(4-chlorophenyl)-2-oxoethyl]-1-ethylpurine-2,6-dione Traditional Name: 3-(3-chlorophenyl)-7-[2-(4-chlorophenyl)-2-keto-ethyl]-1-ethyl-xanthine Formula: C21H16Cl2N4O3 MolecularWeight: 443.28274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC=C(C=C3)Cl)N(C1=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC=C(C=C3)Cl)N(C1=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16Cl2N4O3/c1-2-26-20(29)18-19(27(21(26)30)16-5-3-4-15(23)10-16)24-12-25(18)11-17(28)13-6-8-14(22)9-7-13/h3-10,12H,2,11H2,1H3