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

Systemtic Name: 3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 3-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholinoethyl)benzamide CAS Name: 3-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 3-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 3-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-morpholinoethyl)benzamide Formula: C24H33N5O2S MolecularWeight: 455.61612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN3CCOCC3)N4CCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCN3CCOCC3)N4CCCC4

InChI

InChI=1S/C24H33N5O2S/c1-2-21-17-22(29-9-3-4-10-29)27-24(26-21)32-18-19-6-5-7-20(16-19)23(30)25-8-11-28-12-14-31-15-13-28/h5-7,16-17H,2-4,8-15,18H2,1H3,(H,25,30)