3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-ethyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)CC)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)CC)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C25H31N5OS/c1-4-15-30(3)23-17-21(5-2)28-25(29-23)32-18-19-9-8-10-20(16-19)24(31)27-14-12-22-11-6-7-13-26-22/h6-11,13,16-17H,4-5,12,14-15,18H2,1-3H3,(H,27,31)