3-(2-chlorophenyl)-7-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-(2-chlorophenyl)-7-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-(2-chlorophenyl)-7-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(2-chlorophenyl)-7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(2-chlorophenyl)-7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-(2-chlorophenyl)-7-[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]xanthine Formula: C24H21ClN4O5 MolecularWeight: 480.90034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4Cl)CC=C

InChI

InChI=1S/C24H21ClN4O5/c1-4-11-28-23(31)21-22(29(24(28)32)18-8-6-5-7-17(18)25)26-14-27(21)13-19(30)16-12-15(33-2)9-10-20(16)34-3/h4-10,12,14H,1,11,13H2,2-3H3