6-[2-(azepan-1-ium-1-yl)ethyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[2-(azepan-1-ium-1-yl)ethyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[2-(azepan-1-ium-1-yl)ethyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[2-(1-azepan-1-iumyl)ethyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[2-(azepan-1-ium-1-yl)ethyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-[2-(azepan-1-ium-1-yl)ethyl]-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H25N6O2+ MolecularWeight: 345.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC[NH+]4CCCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC[NH+]4CCCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H24N6O2/c1-12-11-23-13-14(20(2)17(25)19-15(13)24)18-16(23)22(12)10-9-21-7-5-3-4-6-8-21/h11H,3-10H2,1-2H3,(H,19,24,25)/p+1