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

Systemtic Name: 3-[(3-carboxyphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[(3-carboxyphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[(3-carboxyphenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[(3-carboxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(3-carboxybenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O5S/c1-8-11-13(24-12(8)16(22)23)17-7-18(14(11)19)6-9-3-2-4-10(5-9)15(20)21/h2-5,7H,6H2,1H3,(H,20,21)(H,22,23)