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

Systemtic Name: N-butan-2-yl-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[6-(4-tert-butylphenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(4-tert-butylphenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(C)(C)C)C#N

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C(C)(C)C)C#N

InChI

InChI=1S/C21H26N4O2S/c1-6-13(2)23-17(26)12-28-20-24-18(16(11-22)19(27)25-20)14-7-9-15(10-8-14)21(3,4)5/h7-10,13H,6,12H2,1-5H3,(H,23,26)(H,24,25,27)