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

Systemtic Name: 3-(3-fluorophenyl)-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-propan-2-yl-purine-2,6-dione Openeye Name: 3-(3-fluorophenyl)-1-isopropyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3-(3-fluorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-propan-2-ylpurine-2,6-dione IUPAC Name: 3-(3-fluorophenyl)-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1-propan-2-ylpurine-2,6-dione Traditional Name: 3-(3-fluorophenyl)-1-isopropyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]xanthine Formula: C23H21FN4O4 MolecularWeight: 436.435643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=CN2CC(=O)C3=CC(=CC=C3)OC)N(C1=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H21FN4O4/c1-14(2)27-22(30)20-21(28(23(27)31)17-8-5-7-16(24)11-17)25-13-26(20)12-19(29)15-6-4-9-18(10-15)32-3/h4-11,13-14H,12H2,1-3H3