3-(2-cyanoethyl)-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-(2-cyanoethyl)-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-(2-cyanoethyl)-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-cyanoethyl)-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-(2-cyanoethyl)-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-cyanoethyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC#N)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC#N)C(=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c1-6-8-10(19-9(6)12(17)18)14-7(2)15(11(8)16)5-3-4-13/h3,5H2,1-2H3,(H,17,18)/p-1