ethyl 2-thiophen-2-yl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-thiophen-2-yl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(2-thienyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(2-thienyl)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H14F3N3O2S MolecularWeight: 393.38287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C18H14F3N3O2S/c1-2-26-17(25)13-10-22-16(14-7-4-8-27-14)24-15(13)23-12-6-3-5-11(9-12)18(19,20)21/h3-10H,2H2,1H3,(H,22,23,24)