8-(4-cyanopyridin-1-ium-1-yl)-1,3-dimethyl-2-oxidanylidene-purin-6-olate

Systemtic Name: 8-(4-cyanopyridin-1-ium-1-yl)-1,3-dimethyl-2-oxidanylidene-purin-6-olate Openeye Name: 8-(4-cyanopyridin-1-ium-1-yl)-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 8-(4-cyano-1-pyridin-1-iumyl)-1,3-dimethyl-2-oxo-6-purinolate IUPAC Name: 8-(4-cyanopyridin-1-ium-1-yl)-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 8-(4-cyanopyridin-1-ium-1-yl)-2-keto-1,3-dimethyl-purin-6-olate Formula: C13H10N6O2 MolecularWeight: 282.2575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)C#N)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=N2)[N+]3=CC=C(C=C3)C#N)N(C1=O)C)[O-]

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