N-[1-[2-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide

Systemtic Name: N-[1-[2-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide Openeye Name: N-[1-[2-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide CAS Name: N-[1-[2-(5-methyl-2-pyrimidinyl)-1-piperazinyl]butyl]-1-isoquinolinamine hydrobromide IUPAC Name: N-[1-[2-(5-methylpyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide Traditional Name: 1-isoquinolyl-[1-[2-(5-methylpyrimidin-2-yl)piperazino]butyl]amine hydrobromide Formula: C22H29BrN6 MolecularWeight: 457.40986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6.BrH/c1-3-6-20(27-21-18-8-5-4-7-17(18)9-10-24-21)28-12-11-23-15-19(28)22-25-13-16(2)14-26-22;/h4-5,7-10,13-14,19-20,23H,3,6,11-12,15H2,1-2H3,(H,24,27);1H