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

Systemtic Name: N-[(2R)-butan-2-yl]-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-methylpropyl]acetamide CAS Name: N-[(2R)-butan-2-yl]-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[(2R)-butan-2-yl]-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[(1R)-1-methylpropyl]acetamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-3-11(2)19-14(22)10-24-17-20-15(12-7-5-4-6-8-12)13(9-18)16(23)21-17/h4-8,11H,3,10H2,1-2H3,(H,19,22)(H,20,21,23)/t11-/m1/s1