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

Systemtic Name: 3-(2-carboxyethyl)-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(2-carboxyethyl)-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(2-carboxyethyl)-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O5S/c1-5-8-10(20-9(5)12(18)19)13-6(2)14(11(8)17)4-3-7(15)16/h3-4H2,1-2H3,(H,15,16)(H,18,19)