methyl 4-[3,4-bis(fluoranyl)phenyl]-1-methyl-2-oxidanylidene-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-1-methyl-2-oxidanylidene-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(3,4-difluorophenyl)-1-methyl-2-oxo-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate CAS Name: 4-(3,4-difluorophenyl)-1-methyl-2-oxo-3-[oxo-(1-phenylethylamino)methyl]-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-difluorophenyl)-1-methyl-2-oxo-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Traditional Name: 4-(3,4-difluorophenyl)-2-keto-1-methyl-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H21F2N3O4 MolecularWeight: 429.416646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)N2C(C(=CN(C2=O)C)C(=O)OC)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)N2C(C(=CN(C2=O)C)C(=O)OC)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H21F2N3O4/c1-13(14-7-5-4-6-8-14)25-21(29)27-19(15-9-10-17(23)18(24)11-15)16(20(28)31-3)12-26(2)22(27)30/h4-13,19H,1-3H3,(H,25,29)