2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-(3,5-dimethylphenyl)acetamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C17H19N5O3/c1-10-5-11(2)7-12(6-10)19-13(23)8-22-9-18-15-14(22)16(24)21(4)17(25)20(15)3/h5-7,9H,8H2,1-4H3,(H,19,23)/p+1