9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one bromide

Systemtic Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one bromide Openeye Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one bromide CAS Name: 9-ethyl-1-[2-(1-pyridin-1-iumyl)ethyl]-6-purinone bromide IUPAC Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one bromide Traditional Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one bromide Formula: C14H16BrN5O MolecularWeight: 350.21374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=CN(C2=O)CC[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCN1C=NC2=C1N=CN(C2=O)CC[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H16N5O.BrH/c1-2-18-10-15-12-13(18)16-11-19(14(12)20)9-8-17-6-4-3-5-7-17;/h3-7,10-11H,2,8-9H2,1H3;1H/q+1;/p-1