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

Systemtic Name: 4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)N4CCOCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H27N5O2S/c1-2-21-14-22(29-10-12-31-13-11-29)28-24(27-21)32-17-18-5-7-20(8-6-18)23(30)26-16-19-4-3-9-25-15-19/h3-9,14-15H,2,10-13,16-17H2,1H3,(H,26,30)