ethyl 4-[(2-methoxy-5-methyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 4-[(2-methoxy-5-methyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-(2-methoxy-5-methyl-anilino)-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride CAS Name: 4-(2-methoxy-5-methylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(2-methoxy-5-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate hydrochloride Traditional Name: 4-(2-methoxy-5-methyl-anilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S.ClH/c1-5-22-15(20)11-9-17-16(23-4)19-14(11)18-12-8-10(2)6-7-13(12)21-3;/h6-9H,5H2,1-4H3,(H,17,18,19);1H