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

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

Systemtic Name:ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate hydrochloride
Openeye Name:ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate hydrochloride
CAS Name:2-(methylthio)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester hydrochloride
IUPAC Name:ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate hydrochloride
Traditional Name:2-(methylthio)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester hydrochloride
Formula: C15H15ClF3N3O2S
MolecularWeight: 393.81171
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H14F3N3O2S.ClH/c1-3-23-13(22)11-8-19-14(24-2)21-12(11)20-10-6-4-5-9(7-10)15(16,17)18;/h4-8H,3H2,1-2H3,(H,19,20,21);1H


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