1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pyridin-1-ium-4-carbonitrile

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pyridin-1-ium-4-carbonitrile Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyridin-1-ium-4-carbonitrile CAS Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-4-pyridin-1-iumcarbonitrile IUPAC Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyridin-1-ium-4-carbonitrile Traditional Name: 1-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)pyridin-1-ium-4-carbonitrile Formula: C13H11N6O2+ MolecularWeight: 283.26544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=C(C=C3)C#N

InChI

InChI=1S/C13H10N6O2/c1-17-10-9(11(20)18(2)13(17)21)15-12(16-10)19-5-3-8(7-14)4-6-19/h3-6H,1-2H3/p+1