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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(pyridin-4-ylmethylideneamino)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(4-pyridylmethyleneamino)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(pyridin-4-ylmethylideneamino)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(pyridin-4-ylmethylideneamino)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-(4-pyridylmethyleneamino)acetamide Formula: C15H16N7O3+ MolecularWeight: 342.33264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NN=CC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NN=CC3=CC=NC=C3

InChI

InChI=1S/C15H15N7O3/c1-20-13-12(14(24)21(2)15(20)25)22(9-17-13)8-11(23)19-18-7-10-3-5-16-6-4-10/h3-7,9H,8H2,1-2H3,(H,16,19,23)/p+1