2,4-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-[3-(4-morpholin-4-iumyl)propyl]-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C22H26N6O3/c1-24-19-18(20(29)25(2)22(24)30)28-15-17(16-7-4-3-5-8-16)27(21(28)23-19)10-6-9-26-11-13-31-14-12-26/h3-5,7-8,15H,6,9-14H2,1-2H3/p+1