2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C21H18N4O4S/c1-28-16-9-8-14(10-17(16)29-2)23-18(26)12-30-21-24-19(13-6-4-3-5-7-13)15(11-22)20(27)25-21/h3-10H,12H2,1-2H3,(H,23,26)(H,24,25,27)