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

Systemtic Name: (4-cyanophenyl) 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-cyanophenyl) 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-cyanophenyl) ester Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O3S/c1-9-12-14(18-8-19(2)15(12)20)23-13(9)16(21)22-11-5-3-10(7-17)4-6-11/h3-6,8H,1-2H3