6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purin-2-amine

Systemtic Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purin-2-amine Openeye Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purin-2-amine CAS Name: 6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-7H-purin-2-amine IUPAC Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7H-purin-2-amine Traditional Name: [6-(4-pyridin-1-ium-2-ylpiperazino)-7H-purin-2-yl]amine Formula: C14H17N8+ MolecularWeight: 297.33838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N8/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,(H3,15,17,18,19,20)/p+1