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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5OS/c1-3-34(4-2)27-20-26(23-12-6-5-7-13-23)32-29(33-27)36-21-22-11-10-14-24(19-22)28(35)31-18-16-25-15-8-9-17-30-25/h5-15,17,19-20H,3-4,16,18,21H2,1-2H3,(H,31,35)