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

Systemtic Name: 1-cyclopropyl-3-(3-fluorophenyl)-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1-cyclopropyl-3-(3-fluorophenyl)-7-[2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 1-cyclopropyl-3-(3-fluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1-cyclopropyl-3-(3-fluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-cyclopropyl-3-(3-fluorophenyl)-7-[2-keto-2-(p-tolyl)ethyl]xanthine Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)F)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)F)C5CC5

InChI

InChI=1S/C23H19FN4O3/c1-14-5-7-15(8-6-14)19(29)12-26-13-25-21-20(26)22(30)28(17-9-10-17)23(31)27(21)18-4-2-3-16(24)11-18/h2-8,11,13,17H,9-10,12H2,1H3