N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H24N4OS/c1-16-13-18(17-9-5-3-6-10-17)24-20(23-16)27-14-19(26)25(2)21(15-22)11-7-4-8-12-21/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3