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

Systemtic Name: ethyl 4-[(3-ethoxycarbonylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-(3-ethoxycarbonylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride CAS Name: 4-(3-ethoxycarbonylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(3-ethoxycarbonylanilino)-2-methylsulfanylpyrimidine-5-carboxylate hydrochloride Traditional Name: 4-(3-carbethoxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)OCC)SC.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)OCC)SC.Cl

InChI

InChI=1S/C17H19N3O4S.ClH/c1-4-23-15(21)11-7-6-8-12(9-11)19-14-13(16(22)24-5-2)10-18-17(20-14)25-3;/h6-10H,4-5H2,1-3H3,(H,18,19,20);1H