(2S)-N-(3-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(m-tolyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(m-tolyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NC(=C(C(=N2)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=NC(=C(C(=N2)C)C)C

InChI

InChI=1S/C17H21N3OS/c1-10-7-6-8-15(9-10)20-16(21)14(5)22-17-18-12(3)11(2)13(4)19-17/h6-9,14H,1-5H3,(H,20,21)/t14-/m0/s1