4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C24H27N5OS MolecularWeight: 433.56908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)N4CCCC4

InChI

InChI=1S/C24H27N5OS/c1-2-20-15-22(29-13-5-6-14-29)28-24(27-20)31-17-18-8-10-19(11-9-18)23(30)26-16-21-7-3-4-12-25-21/h3-4,7-12,15H,2,5-6,13-14,16-17H2,1H3,(H,26,30)