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

Systemtic Name: 6-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[2-(4-ethyl-1-piperazin-4-iumyl)ethyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H26N7O2+ MolecularWeight: 360.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCN2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCN2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C

InChI

InChI=1S/C17H25N7O2/c1-4-21-5-7-22(8-6-21)9-10-23-12(2)11-24-13-14(18-16(23)24)20(3)17(26)19-15(13)25/h11H,4-10H2,1-3H3,(H,19,25,26)/p+1