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

Systemtic Name: 3-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CN=CC=C3)N4CCOCC4

InChI

InChI=1S/C23H25N5O2S/c1-17-12-21(28-8-10-30-11-9-28)27-23(26-17)31-16-18-4-2-6-20(13-18)22(29)25-15-19-5-3-7-24-14-19/h2-7,12-14H,8-11,15-16H2,1H3,(H,25,29)