2-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C16H18ClN8O+ MolecularWeight: 373.82012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C16H17ClN8O/c17-16-22-14(13-15(23-16)21-10-20-13)19-9-12(26)25-7-5-24(6-8-25)11-3-1-2-4-18-11/h1-4,10H,5-9H2,(H2,19,20,21,22,23)/p+1