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

Systemtic Name: 3-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(4-fluorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-(4-fluorophenyl)-7-[2-keto-2-(4-methoxyphenyl)ethyl]xanthine Formula: C23H19FN4O4 MolecularWeight: 434.419763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)CC=C

InChI

InChI=1S/C23H19FN4O4/c1-3-12-27-22(30)20-21(28(23(27)31)17-8-6-16(24)7-9-17)25-14-26(20)13-19(29)15-4-10-18(32-2)11-5-15/h3-11,14H,1,12-13H2,2H3