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

Systemtic Name: 3-(2-carboxyethyl)-5-methyl-4-oxidanylidene-2-pyridin-4-yl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-(4-pyridyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-pyridin-4-yl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-4-keto-5-methyl-2-(4-pyridyl)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=C1C(=O)N(C(=N2)C3=CC=NC=C3)CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-8-11-14(25-12(8)16(23)24)18-13(9-2-5-17-6-3-9)19(15(11)22)7-4-10(20)21/h2-3,5-6H,4,7H2,1H3,(H,20,21)(H,23,24)