2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-[2-(4-sulfamoylphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=C(C=C3)S(=O)(=O)N)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=C(C=C3)S(=O)(=O)N)C)C(=O)O

InChI

InChI=1S/C17H18N4O4S2/c1-9-13-15(20-10(2)21-16(13)26-14(9)17(22)23)19-8-7-11-3-5-12(6-4-11)27(18,24)25/h3-6H,7-8H2,1-2H3,(H,22,23)(H2,18,24,25)(H,19,20,21)