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

Systemtic Name: 2-methylpropyl 4-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H29N5O5S2 MolecularWeight: 519.63686

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O5S2/c1-5-6-11-24-23(30)28-35(31,32)17-9-7-16(8-10-17)27-20-18-15(4)19(22(29)33-12-14(2)3)34-21(18)26-13-25-20/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,24,28,30)(H,25,26,27)