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

Systemtic Name: 1-ethyl-3-(3-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1-ethyl-3-(3-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-ethyl-3-(3-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1-ethyl-3-(3-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-ethyl-3-(3-fluorophenyl)-7-[2-keto-2-(4-methoxyphenyl)ethyl]xanthine Formula: C22H19FN4O4 MolecularWeight: 422.409063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN4O4/c1-3-26-21(29)19-20(27(22(26)30)16-6-4-5-15(23)11-16)24-13-25(19)12-18(28)14-7-9-17(31-2)10-8-14/h4-11,13H,3,12H2,1-2H3