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

Systemtic Name: propan-2-yl 4-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H27N5O5S2 MolecularWeight: 505.61028

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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)OC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S2/c1-5-6-11-23-22(29)27-34(30,31)16-9-7-15(8-10-16)26-19-17-14(4)18(21(28)32-13(2)3)33-20(17)25-12-24-19/h7-10,12-13H,5-6,11H2,1-4H3,(H2,23,27,29)(H,24,25,26)