2-chloranyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine

Systemtic Name: 2-chloranyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine Openeye Name: 2-chloro-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine CAS Name: 2-chloro-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7H-purine IUPAC Name: 2-chloro-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purine Traditional Name: 2-chloro-6-(4-pyridin-1-ium-2-ylpiperazino)-7H-purine Formula: C14H15ClN7+ MolecularWeight: 316.7688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C14H14ClN7/c15-14-19-12-11(17-9-18-12)13(20-14)22-7-5-21(6-8-22)10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H,17,18,19,20)/p+1