(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide

Systemtic Name: (2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide Openeye Name: (2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidine-2-carboxamide CAS Name: (2S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidinecarboxamide IUPAC Name: (2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidine-2-carboxamide Traditional Name: (2S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-N-(6-phenoxy-3-pyridyl)pipecolinamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O2S/c1-31-23-25-13-17(14-26-23)16-28-12-6-5-9-20(28)22(29)27-18-10-11-21(24-15-18)30-19-7-3-2-4-8-19/h2-4,7-8,10-11,13-15,20H,5-6,9,12,16H2,1H3,(H,27,29)/t20-/m0/s1