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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-6(2)11-15-12-9(7(3)10(22-12)14(20)21)13(19)16(11)5-4-8(17)18/h6H,4-5H2,1-3H3,(H,17,18)(H,20,21)