4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-hexyl-benzamide

Systemtic Name: 4-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 4-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-hexyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-hexylbenzamide Traditional Name: 4-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-hexyl-benzamide Formula: C22H29ClN4O2S MolecularWeight: 449.00926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

InChI

InChI=1S/C22H29ClN4O2S/c1-2-3-4-5-10-24-21(28)18-8-6-17(7-9-18)16-30-22-25-19(23)15-20(26-22)27-11-13-29-14-12-27/h6-9,15H,2-5,10-14,16H2,1H3,(H,24,28)