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

Systemtic Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 4-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholinoethyl)benzamide CAS Name: 4-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 4-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-[[(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=C(C=C2)C(=O)NCCN3CCOCC3)N4CCCC4

Isomeric SMILES

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

InChI

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