4-[3,4-bis(fluoranyl)phenyl]-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Openeye Name: 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate CAS Name: 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-3-[oxo-(1-phenylethylamino)methyl]-4H-pyrimidine-5-carboxylate IUPAC Name: 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Traditional Name: 4-(3,4-difluorophenyl)-6-ethyl-2-methoxy-3-(1-phenylethylcarbamoyl)-4H-pyrimidine-5-carboxylate Formula: C23H22F2N3O4- MolecularWeight: 442.435286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=N1)OC)C(=O)NC(C)C2=CC=CC=C2)C3=CC(=C(C=C3)F)F)C(=O)[O-]

Isomeric SMILES

CCC1=C(C(N(C(=N1)OC)C(=O)NC(C)C2=CC=CC=C2)C3=CC(=C(C=C3)F)F)C(=O)[O-]

InChI

InChI=1S/C23H23F2N3O4/c1-4-18-19(21(29)30)20(15-10-11-16(24)17(25)12-15)28(23(27-18)32-3)22(31)26-13(2)14-8-6-5-7-9-14/h5-13,20H,4H2,1-3H3,(H,26,31)(H,29,30)/p-1