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

Systemtic Name: 3-(cyanomethyl)-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-(cyanomethyl)-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-(cyanomethyl)-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-(cyanomethyl)-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-(cyanomethyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C11H9N3O3S MolecularWeight: 263.27246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N3O3S/c1-5-7-9(18-8(5)11(16)17)13-6(2)14(4-3-12)10(7)15/h4H2,1-2H3,(H,16,17)