N-(6-azanylhexyl)-4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(6-azanylhexyl)-4-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(6-aminohexyl)-4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(6-aminohexyl)-4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(6-aminohexyl)-4-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]benzamide Formula: C20H28ClN5OS MolecularWeight: 421.98722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN5OS/c1-26(2)18-13-17(21)24-20(25-18)28-14-15-7-9-16(10-8-15)19(27)23-12-6-4-3-5-11-22/h7-10,13H,3-6,11-12,14,22H2,1-2H3,(H,23,27)