ethyl 4-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride

Systemtic Name: ethyl 4-[(5-ethylsulfonyl-2-oxidanyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride Openeye Name: ethyl 4-(5-ethylsulfonyl-2-hydroxy-anilino)-2-methylsulfanyl-pyrimidine-5-carboxylate hydrochloride CAS Name: 4-(5-ethylsulfonyl-2-hydroxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(5-ethylsulfonyl-2-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate hydrochloride Traditional Name: 4-(5-esyl-2-hydroxy-anilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester hydrochloride Formula: C16H20ClN3O5S2 MolecularWeight: 433.9301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2.ClH/c1-4-24-15(21)11-9-17-16(25-3)19-14(11)18-12-8-10(6-7-13(12)20)26(22,23)5-2;/h6-9,20H,4-5H2,1-3H3,(H,17,18,19);1H