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

Systemtic Name: 4-[(3-carboxy-4-oxidanyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(3-carboxy-4-hydroxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(3-carboxy-4-hydroxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(3-carboxy-4-hydroxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(3-carboxy-4-hydroxy-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-6-11-13(17-7(2)18-14(11)25-12(6)16(23)24)19-8-3-4-10(20)9(5-8)15(21)22/h3-5,20H,1-2H3,(H,21,22)(H,23,24)(H,17,18,19)