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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(4-phenyldiazenylphenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(4-phenylazophenyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(4-phenyldiazenylphenyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-phenyldiazenylphenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(4-phenylazophenyl)acetamide Formula: C21H18BrN7O3 MolecularWeight: 496.31672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)Br

InChI

InChI=1S/C21H18BrN7O3/c1-27-18-17(19(31)28(2)21(27)32)24-20(22)29(18)12-16(30)23-13-8-10-15(11-9-13)26-25-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,23,30)