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

Systemtic Name: ethyl 4-[(3-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-(3-methylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride CAS Name: 4-(3-methylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate hydrochloride Traditional Name: 2-(methylthio)-4-(m-toluidino)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S.ClH/c1-4-20-14(19)12-9-16-15(21-3)18-13(12)17-11-7-5-6-10(2)8-11;/h5-9H,4H2,1-3H3,(H,16,17,18);1H