2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-pyridin-4-yl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-pyridin-4-yl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(4-pyridyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-pyridin-4-ylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-pyridin-4-ylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-(4-pyridyl)acetamide Formula: C14H15N6O3+ MolecularWeight: 315.3073

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC=NC=C3

InChI

InChI=1S/C14H14N6O3/c1-18-12-11(13(22)19(2)14(18)23)20(8-16-12)7-10(21)17-9-3-5-15-6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17,21)/p+1