3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-piperidyl]-N-(3-pyridylmethyl)propionamide Formula: C20H27N5OS MolecularWeight: 385.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)CN2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)CN2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H27N5OS/c1-27-20-23-13-18(14-24-20)15-25-9-6-16(7-10-25)4-5-19(26)22-12-17-3-2-8-21-11-17/h2-3,8,11,13-14,16H,4-7,9-10,12,15H2,1H3,(H,22,26)