3-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 3-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N4CCCCC4C

InChI

InChI=1S/C27H33N5OS/c1-3-23-18-25(32-16-7-5-9-20(32)2)31-27(30-23)34-19-21-10-8-11-22(17-21)26(33)29-15-13-24-12-4-6-14-28-24/h4,6,8,10-12,14,17-18,20H,3,5,7,9,13,15-16,19H2,1-2H3,(H,29,33)