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

Systemtic Name: 3-[(4-propan-2-yl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 3-[(4-isopropyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 3-[[[4-propan-2-yl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 3-[(4-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 3-[[(4-isopropyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C26H31N5OS MolecularWeight: 461.62224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N4CCCC4

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)N4CCCC4

InChI

InChI=1S/C26H31N5OS/c1-19(2)23-17-24(31-14-5-6-15-31)30-26(29-23)33-18-20-8-7-9-21(16-20)25(32)28-13-11-22-10-3-4-12-27-22/h3-4,7-10,12,16-17,19H,5-6,11,13-15,18H2,1-2H3,(H,28,32)