2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C18H31ClN5OS+ MolecularWeight: 400.98964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CC[NH+](CC2)CC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CC[NH+](CC2)CC

InChI

InChI=1S/C18H30ClN5OS/c1-3-5-6-7-8-20-17(25)14-26-18-21-15(19)13-16(22-18)24-11-9-23(4-2)10-12-24/h13H,3-12,14H2,1-2H3,(H,20,25)/p+1