ethyl 4-[(2,6-dimethylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 4-[(2,6-dimethylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-(2,6-dimethylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride CAS Name: 4-(2,6-dimethylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(2,6-dimethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate hydrochloride Traditional Name: 4-(2,6-dimethylanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC=C2C)C)SC.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC=C2C)C)SC.Cl

InChI

InChI=1S/C16H19N3O2S.ClH/c1-5-21-15(20)12-9-17-16(22-4)19-14(12)18-13-10(2)7-6-8-11(13)3;/h6-9H,5H2,1-4H3,(H,17,18,19);1H