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

Systemtic Name: ethyl 4-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(butylcarbamoylsulfamoyl)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[[butylamino(oxo)methyl]sulfamoyl]anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(butylcarbamoylsulfamoyl)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(butylcarbamoylsulfamoyl)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

InChI

InChI=1S/C21H25N5O5S2/c1-4-6-11-22-21(28)26-33(29,30)15-9-7-14(8-10-15)25-18-16-13(3)17(20(27)31-5-2)32-19(16)24-12-23-18/h7-10,12H,4-6,11H2,1-3H3,(H2,22,26,28)(H,23,24,25)