4,7-dimethyl-6-(2-piperazin-4-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-6-(2-piperazin-4-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-(2-piperazin-4-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[2-(1-piperazin-4-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(2-piperazin-4-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-(2-piperazin-4-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C15H22N7O2+ MolecularWeight: 332.38088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCN4CC[NH2+]CC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCN4CC[NH2+]CC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H21N7O2/c1-10-9-22-11-12(19(2)15(24)18-13(11)23)17-14(22)21(10)8-7-20-5-3-16-4-6-20/h9,16H,3-8H2,1-2H3,(H,18,23,24)/p+1