4-[3,4-bis(fluoranyl)phenyl]-3-[3-(4-fluorophenyl)propylcarbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-3-[3-(4-fluorophenyl)propylcarbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3,4-difluorophenyl)-3-[3-(4-fluorophenyl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)propylamino]-oxomethyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3,4-difluorophenyl)-3-[3-(4-fluorophenyl)propylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3,4-difluorophenyl)-3-[3-(4-fluorophenyl)propylcarbamoyl]-2-keto-1,4-dihydropyrimidine-5-carboxylic acid Formula: C21H18F3N3O4 MolecularWeight: 433.38053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCNC(=O)N2C(C(=CNC2=O)C(=O)O)C3=CC(=C(C=C3)F)F)F

Isomeric SMILES

C1=CC(=CC=C1CCCNC(=O)N2C(C(=CNC2=O)C(=O)O)C3=CC(=C(C=C3)F)F)F

InChI

InChI=1S/C21H18F3N3O4/c22-14-6-3-12(4-7-14)2-1-9-25-20(30)27-18(13-5-8-16(23)17(24)10-13)15(19(28)29)11-26-21(27)31/h3-8,10-11,18H,1-2,9H2,(H,25,30)(H,26,31)(H,28,29)