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

Systemtic Name: 3-(2-carboxyethyl)-5-methyl-4-oxidanylidene-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-propyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-5-methyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-4-keto-5-methyl-2-propyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)N1CCC(=O)O

Isomeric SMILES

CCCC1=NC2=C(C(=C(S2)C(=O)O)C)C(=O)N1CCC(=O)O

InChI

InChI=1S/C14H16N2O5S/c1-3-4-8-15-12-10(7(2)11(22-12)14(20)21)13(19)16(8)6-5-9(17)18/h3-6H2,1-2H3,(H,17,18)(H,20,21)