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

Systemtic Name: 2,5-dimethyl-3-(2-methylpropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-isobutyl-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-3-(2-methylpropyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-isobutyl-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-6(2)5-15-8(4)14-11-9(12(15)16)7(3)10(19-11)13(17)18/h6H,5H2,1-4H3,(H,17,18)