(2S)-N-[(2S)-2-phenylbutyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(2S)-2-phenylbutyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(2S)-2-phenylbutyl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NC(=C(C(=N1)C)C)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)SC1=NC(=C(C(=N1)C)C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H27N3OS/c1-6-17(18-10-8-7-9-11-18)12-21-19(24)16(5)25-20-22-14(3)13(2)15(4)23-20/h7-11,16-17H,6,12H2,1-5H3,(H,21,24)/t16-,17+/m0/s1