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

Systemtic Name: 3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-[methyl(propyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=N4

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C29H31N5OS/c1-3-18-34(2)27-20-26(23-11-5-4-6-12-23)32-29(33-27)36-21-22-10-9-13-24(19-22)28(35)31-17-15-25-14-7-8-16-30-25/h4-14,16,19-20H,3,15,17-18,21H2,1-2H3,(H,31,35)