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

Systemtic Name: 4-[[4-(carboxymethyl)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[4-(carboxymethyl)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[4-(carboxymethyl)anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[4-(carboxymethyl)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[4-(carboxymethyl)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(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-8-12-14(17-7-18-15(12)24-13(8)16(22)23)19-10-4-2-9(3-5-10)6-11(20)21/h2-5,7H,6H2,1H3,(H,20,21)(H,22,23)(H,17,18,19)