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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)F)C5CC5

InChI

InChI=1S/C23H19FN4O4/c1-32-18-4-2-3-14(11-18)19(29)12-26-13-25-21-20(26)22(30)28(17-9-10-17)23(31)27(21)16-7-5-15(24)6-8-16/h2-8,11,13,17H,9-10,12H2,1H3