ethyl 2-[(4-propan-2-ylphenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-propan-2-ylphenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-isopropylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(4-propan-2-ylanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-propan-2-ylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-cumidino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18F3N3O2 MolecularWeight: 353.33893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C17H18F3N3O2/c1-4-25-15(24)13-9-21-16(23-14(13)17(18,19)20)22-12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,21,22,23)