ethyl 2-methylsulfanyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(2-pyridylsulfamoyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(2-pyridinylsulfamoyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(pyridin-2-ylsulfamoyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(2-pyridylsulfamoyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)SC

InChI

InChI=1S/C19H19N5O4S2/c1-3-28-18(25)15-12-21-19(29-2)23-17(15)22-13-7-9-14(10-8-13)30(26,27)24-16-6-4-5-11-20-16/h4-12H,3H2,1-2H3,(H,20,24)(H,21,22,23)