ethyl 5-methyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(2-pyridylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-pyridinylsulfamoyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(pyridin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(2-pyridylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C

InChI

InChI=1S/C21H19N5O4S2/c1-3-30-21(27)18-13(2)17-19(23-12-24-20(17)31-18)25-14-7-9-15(10-8-14)32(28,29)26-16-6-4-5-11-22-16/h4-12H,3H2,1-2H3,(H,22,26)(H,23,24,25)