6-[3-(azepan-1-ium-1-yl)propyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[3-(azepan-1-ium-1-yl)propyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[3-(azepan-1-ium-1-yl)propyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[3-(1-azepan-1-iumyl)propyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[3-(azepan-1-ium-1-yl)propyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-[3-(azepan-1-ium-1-yl)propyl]-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H27N6O2+ MolecularWeight: 359.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC[NH+]4CCCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC[NH+]4CCCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H26N6O2/c1-13-12-24-14-15(21(2)18(26)20-16(14)25)19-17(24)23(13)11-7-10-22-8-5-3-4-6-9-22/h12H,3-11H2,1-2H3,(H,20,25,26)/p+1