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

Systemtic Name: 3-(3-chlorophenyl)-1-ethyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3-(3-chlorophenyl)-1-ethyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(3-chlorophenyl)-1-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 3-(3-chlorophenyl)-1-ethyl-7-[2-(3-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-(3-chlorophenyl)-1-ethyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]xanthine Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O4/c1-3-26-21(29)19-20(27(22(26)30)16-8-5-7-15(23)11-16)24-13-25(19)12-18(28)14-6-4-9-17(10-14)31-2/h4-11,13H,3,12H2,1-2H3