4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C22H24ClN5OS MolecularWeight: 441.97686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)Cl

InChI

InChI=1S/C22H24ClN5OS/c1-3-28(4-2)20-13-19(23)26-22(27-20)30-15-16-8-10-17(11-9-16)21(29)25-14-18-7-5-6-12-24-18/h5-13H,3-4,14-15H2,1-2H3,(H,25,29)