ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15F3N4O3S MolecularWeight: 400.37551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC=CC(=C2)C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC=CC(=C2)C(F)(F)F)SC

InChI

InChI=1S/C16H15F3N4O3S/c1-3-26-13(24)11-8-20-15(27-2)23-12(11)22-14(25)21-10-6-4-5-9(7-10)16(17,18)19/h4-8H,3H2,1-2H3,(H2,20,21,22,23,25)