2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethoxyphenyl)ethanamide

Systemtic Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-o-phenetyl-acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C25H26N4O3S/c1-5-32-20-9-7-6-8-19(20)27-21(30)15-33-24-28-22(18(14-26)23(31)29-24)16-10-12-17(13-11-16)25(2,3)4/h6-13H,5,15H2,1-4H3,(H,27,30)(H,28,29,31)