4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C26H31N5OS MolecularWeight: 461.62224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N4CCCCC4C

InChI

InChI=1S/C26H31N5OS/c1-3-23-16-24(31-15-5-4-6-19(31)2)30-26(29-23)33-18-21-7-9-22(10-8-21)25(32)28-17-20-11-13-27-14-12-20/h7-14,16,19H,3-6,15,17-18H2,1-2H3,(H,28,32)