6-(4-bromophenyl)-4,7-dimethyl-purino[7,8-a]imidazole-4,9-diium-1,3-dione

Systemtic Name: 6-(4-bromophenyl)-4,7-dimethyl-purino[7,8-a]imidazole-4,9-diium-1,3-dione Openeye Name: 6-(4-bromophenyl)-4,7-dimethyl-purino[7,8-a]imidazole-4,9-diium-1,3-dione CAS Name: 6-(4-bromophenyl)-4,7-dimethylpurino[7,8-a]imidazole-4,9-diium-1,3-dione IUPAC Name: 6-(4-bromophenyl)-4,7-dimethylpurino[7,8-a]imidazole-4,9-diium-1,3-dione Traditional Name: 6-(4-bromophenyl)-4,7-dimethyl-purin[7,8-a]imidazole-4,9-diium-1,3-quinone Formula: C15H12BrN5O2+2 MolecularWeight: 374.19208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C3C(=O)NC(=O)[N+](=C3N=C2N1C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C[N+]2=C3C(=O)NC(=O)[N+](=C3N=C2N1C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C15H11BrN5O2/c1-8-7-20-11-12(19(2)15(23)18-13(11)22)17-14(20)21(8)10-5-3-9(16)4-6-10/h3-7H,1-2H3/q+1/p+1