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

Systemtic Name: 4-[(4-carboxyphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-carboxyanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-carboxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-carboxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-carboxyanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C16H13N3O4S/c1-7-11-13(19-10-5-3-9(4-6-10)15(20)21)17-8(2)18-14(11)24-12(7)16(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23)(H,17,18,19)