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

Systemtic Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one Openeye Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one CAS Name: 9-ethyl-1-[2-(1-pyridin-1-iumyl)ethyl]-6-purinone IUPAC Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one Traditional Name: 9-ethyl-1-(2-pyridin-1-ium-1-ylethyl)purin-6-one Formula: C14H16N5O+ MolecularWeight: 270.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N5O/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/q+1