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

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C22H26N4OS/c1-16-14-19(18-10-6-4-7-11-18)25-21(24-16)28-17(2)20(27)26(3)22(15-23)12-8-5-9-13-22/h4,6-7,10-11,14,17H,5,8-9,12-13H2,1-3H3/t17-/m0/s1