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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-[(phenylmethylidene)amino]ethanamide Openeye Name: N-(benzylideneamino)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-[(phenylmethylene)amino]acetamide IUPAC Name: N-(benzylideneamino)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: N-(benzalamino)-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C16H17N6O3+ MolecularWeight: 341.34458

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(10-17-14)9-12(23)19-18-8-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,23)/p+1