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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H24N4OS/c1-15-13-18(17-9-5-3-6-10-17)24-20(23-15)27-16(2)19(26)25-21(14-22)11-7-4-8-12-21/h3,5-6,9-10,13,16H,4,7-8,11-12H2,1-2H3,(H,25,26)/t16-/m1/s1