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

Systemtic Name: 4,7-dimethyl-6-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]purin[7,8-a]imidazole-1,3-quinone Formula: C22H28N7O2+ MolecularWeight: 422.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC[NH+]4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC[NH+]4CCN(CC4)C5=CC=CC=C5)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H27N7O2/c1-16-15-29-18-19(25(2)22(31)24-20(18)30)23-21(29)28(16)10-6-9-26-11-13-27(14-12-26)17-7-4-3-5-8-17/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,24,30,31)/p+1