ethyl 4-(4-cyanophenyl)-3,6-dimethyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-3,6-dimethyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-keto-3,6-dimethyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H20F3N3O3 MolecularWeight: 443.41841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC=C(C=C2)C#N)C)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N(C1C2=CC=C(C=C2)C#N)C)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C23H20F3N3O3/c1-4-32-21(30)19-14(2)29(18-7-5-6-17(12-18)23(24,25)26)22(31)28(3)20(19)16-10-8-15(13-27)9-11-16/h5-12,20H,4H2,1-3H3