ethyl 2-methylsulfanyl-4-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(trifluoromethoxy)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(trifluoromethoxy)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14F3N3O3S MolecularWeight: 373.35017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(F)(F)F)SC

InChI

InChI=1S/C15H14F3N3O3S/c1-3-23-13(22)11-8-19-14(25-2)21-12(11)20-9-4-6-10(7-5-9)24-15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,21)