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

Systemtic Name: 3-(2-chlorophenyl)-7-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-(2-chlorophenyl)-7-[2-(3-chlorophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-[2-(3-chlorophenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-[2-(3-chlorophenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-(2-chlorophenyl)-7-[2-(3-chlorophenyl)-2-keto-ethyl]xanthine Formula: C22H16Cl2N4O3 MolecularWeight: 455.29344

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)Cl)N(C1=O)C4=CC=CC=C4Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)Cl)N(C1=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16Cl2N4O3/c1-2-10-27-21(30)19-20(28(22(27)31)17-9-4-3-8-16(17)24)25-13-26(19)12-18(29)14-6-5-7-15(23)11-14/h2-9,11,13H,1,10,12H2