phenethyl 5-methyl-4-[(4-sulfamoylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(4-sulfamoylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-sulfamoylanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4S2/c1-14-18-20(26-16-7-9-17(10-8-16)32(23,28)29)24-13-25-21(18)31-19(14)22(27)30-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H2,23,28,29)(H,24,25,26)