3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=NC=C3)N4CCCC4

InChI

InChI=1S/C24H27N5OS/c1-2-21-15-22(29-12-3-4-13-29)28-24(27-21)31-17-19-6-5-7-20(14-19)23(30)26-16-18-8-10-25-11-9-18/h5-11,14-15H,2-4,12-13,16-17H2,1H3,(H,26,30)