4-[(5-carboxy-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[(5-carboxy-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(5-carboxy-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(5-carboxy-2-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(5-carboxy-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(5-carboxy-2-methyl-anilino)-5-methyl-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(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C(=O)O)C

InChI

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