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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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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)Cl)C#N

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C17H17ClN4O2S/c1-3-10(2)20-14(23)9-25-17-21-15(13(8-19)16(24)22-17)11-4-6-12(18)7-5-11/h4-7,10H,3,9H2,1-2H3,(H,20,23)(H,21,22,24)/t10-/m0/s1