ethyl 2-methylsulfanyl-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 2-methylsulfanyl-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 2-methylsulfanyl-4-(2-pyridylmethylamino)pyrimidine-5-carboxylate hydrochloride CAS Name: 2-(methylthio)-4-(2-pyridinylmethylamino)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-methylsulfanyl-4-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylate hydrochloride Traditional Name: 2-(methylthio)-4-(2-pyridylmethylamino)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C14H17ClN4O2S MolecularWeight: 340.82838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=N2)SC.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=CC=CC=N2)SC.Cl

InChI

InChI=1S/C14H16N4O2S.ClH/c1-3-20-13(19)11-9-17-14(21-2)18-12(11)16-8-10-6-4-5-7-15-10;/h4-7,9H,3,8H2,1-2H3,(H,16,17,18);1H