N-(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC#N

InChI

InChI=1S/C16H16N4OS/c1-12-10-14(13-6-3-2-4-7-13)20-16(19-12)22-11-15(21)18-9-5-8-17/h2-4,6-7,10H,5,9,11H2,1H3,(H,18,21)