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

Systemtic Name: N-(2-cyanophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide IUPAC Name: N-(2-cyanophenyl)-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide Traditional Name: N-(2-cyanophenyl)-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C16H15N6O3+ MolecularWeight: 339.3287

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C16H14N6O3/c1-20-14-13(15(24)21(2)16(20)25)22(9-18-14)8-12(23)19-11-6-4-3-5-10(11)7-17/h3-6,9H,8H2,1-2H3,(H,19,23)/p+1