5-bromanyl-N-[1-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-bicyclo[2.2.2]octanyl]pyrimidin-2-amine

Systemtic Name: 5-bromanyl-N-[1-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-bicyclo[2.2.2]octanyl]pyrimidin-2-amine Openeye Name: 5-bromo-N-[1-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-bicyclo[2.2.2]octanyl]pyrimidin-2-amine CAS Name: 5-bromo-N-[1-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-bicyclo[2.2.2]octanyl]-2-pyrimidinamine IUPAC Name: 5-bromo-N-[1-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)-4-bicyclo[2.2.2]octanyl]pyrimidin-2-amine Traditional Name: (5-bromopyrimidin-2-yl)-[1-(5,6,7,8,9,10-hexahydro-[1,2,4]triazol[4,3-a]azocin-3-yl)-4-bicyclo[2.2.2]octanyl]amine Formula: C20H27BrN6 MolecularWeight: 431.37258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN2C(=NN=C2C34CCC(CC3)(CC4)NC5=NC=C(C=N5)Br)CC1

Isomeric SMILES

C1CCCN2C(=NN=C2C34CCC(CC3)(CC4)NC5=NC=C(C=N5)Br)CC1

InChI

InChI=1S/C20H27BrN6/c21-15-13-22-18(23-14-15)24-20-9-6-19(7-10-20,8-11-20)17-26-25-16-5-3-1-2-4-12-27(16)17/h13-14H,1-12H2,(H,22,23,24)