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

Systemtic Name: 3-(2-carboxyethyl)-5-methyl-2-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5-methyl-2-(4-methylphenyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-5-methyl-2-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-4-keto-5-methyl-2-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2CCC(=O)O

InChI

InChI=1S/C18H16N2O5S/c1-9-3-5-11(6-4-9)15-19-16-13(10(2)14(26-16)18(24)25)17(23)20(15)8-7-12(21)22/h3-6H,7-8H2,1-2H3,(H,21,22)(H,24,25)