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

Systemtic Name: 3-[(3-cyanophenyl)methyl]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(3-cyanophenyl)methyl]-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-cyanophenyl)methyl]-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[(3-cyanophenyl)methyl]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-cyanobenzyl)-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H12N3O3S- MolecularWeight: 338.36048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC3=CC=CC(=C3)C#N)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CC3=CC=CC(=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C17H13N3O3S/c1-9-13-15(24-14(9)17(22)23)19-10(2)20(16(13)21)8-12-5-3-4-11(6-12)7-18/h3-6H,8H2,1-2H3,(H,22,23)/p-1