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

Systemtic Name: 4-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 4-[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 4-[[[4-ethyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 4-[[4-[benzyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 4-[[[4-[benzyl(methyl)amino]-6-ethyl-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:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)N(C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)N(C)CC4=CC=CC=C4

InChI

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