6-(4-bromophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 6-(4-bromophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 6-(4-bromophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 6-(4-bromophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 6-(4-bromophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 6-(4-bromophenyl)-2-(2-methoxyethyl)-4-methyl-7,8-dihydro-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C17H19BrN5O3+ MolecularWeight: 421.26846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCOC)[N+]3=C(N2)N(CC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCOC)[N+]3=C(N2)N(CC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H18BrN5O3/c1-20-14-13(15(24)23(17(20)25)9-10-26-2)22-8-7-21(16(22)19-14)12-5-3-11(18)4-6-12/h3-6H,7-10H2,1-2H3/p+1