N-[1-(2-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine hydrobromide

Systemtic Name: N-[1-(2-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine hydrobromide Openeye Name: N-[1-(2-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine hydrobromide CAS Name: N-[1-[2-(2-pyrimidinyl)-1-piperazinyl]butyl]-1-isoquinolinamine hydrobromide IUPAC Name: N-[1-(2-pyrimidin-2-ylpiperazin-1-yl)butyl]isoquinolin-1-amine hydrobromide Traditional Name: 1-isoquinolyl-[1-[2-(2-pyrimidyl)piperazino]butyl]amine hydrobromide Formula: C21H27BrN6 MolecularWeight: 443.38328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC1=NC=CC2=CC=CC=C21)N3CCNCC3C4=NC=CC=N4.Br

Isomeric SMILES

CCCC(NC1=NC=CC2=CC=CC=C21)N3CCNCC3C4=NC=CC=N4.Br

InChI

InChI=1S/C21H26N6.BrH/c1-2-6-19(26-20-17-8-4-3-7-16(17)9-12-25-20)27-14-13-22-15-18(27)21-23-10-5-11-24-21;/h3-5,7-12,18-19,22H,2,6,13-15H2,1H3,(H,25,26);1H