3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholinopropyl)benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-(3-morpholinopropyl)benzamide Formula: C21H28ClN5O2S MolecularWeight: 449.99732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCCN3CCOCC3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCCN3CCOCC3)Cl

InChI

InChI=1S/C21H28ClN5O2S/c1-26(2)19-14-18(22)24-21(25-19)30-15-16-5-3-6-17(13-16)20(28)23-7-4-8-27-9-11-29-12-10-27/h3,5-6,13-14H,4,7-12,15H2,1-2H3,(H,23,28)