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

Systemtic Name: 4-[(3-carboxy-4-oxidanyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(3-carboxy-4-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(3-carboxy-4-hydroxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(3-carboxy-4-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(3-carboxy-4-hydroxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H11N3O5S MolecularWeight: 345.32994

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O5S/c1-6-10-12(16-5-17-13(10)24-11(6)15(22)23)18-7-2-3-9(19)8(4-7)14(20)21/h2-5,19H,1H3,(H,20,21)(H,22,23)(H,16,17,18)