ethyl 2-methylsulfanyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[2-(4-sulfamoylphenyl)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCC2=CC=C(C=C2)S(=O)(=O)N)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCC2=CC=C(C=C2)S(=O)(=O)N)SC

InChI

InChI=1S/C16H20N4O4S2/c1-3-24-15(21)13-10-19-16(25-2)20-14(13)18-9-8-11-4-6-12(7-5-11)26(17,22)23/h4-7,10H,3,8-9H2,1-2H3,(H2,17,22,23)(H,18,19,20)