8-[(3-bromophenyl)amino]-1,3-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 8-[(3-bromophenyl)amino]-1,3-dimethyl-purin-3-ium-2,6-dione Openeye Name: 8-(3-bromoanilino)-1,3-dimethyl-purin-3-ium-2,6-dione CAS Name: 8-(3-bromoanilino)-1,3-dimethylpurin-3-ium-2,6-dione IUPAC Name: 8-(3-bromoanilino)-1,3-dimethylpurin-3-ium-2,6-dione Traditional Name: 8-(3-bromoanilino)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C13H11BrN5O2+ MolecularWeight: 349.16274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H10BrN5O2/c1-18-10-9(11(20)19(2)13(18)21)16-12(17-10)15-8-5-3-4-7(14)6-8/h3-6H,1-2H3/p+1