2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(p-tolyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(4-methylphenyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-(4-methylphenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-(p-tolyl)acetamide Formula: C16H17BrN5O3+ MolecularWeight: 407.24188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[N+]2=C(NC3=C2C(=O)N(C(=O)N3C)C)Br

InChI

InChI=1S/C16H16BrN5O3/c1-9-4-6-10(7-5-9)18-11(23)8-22-12-13(19-15(22)17)20(2)16(25)21(3)14(12)24/h4-7H,8H2,1-3H3,(H,18,23)/p+1