6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 6-(3-chlorophenyl)-8-ethyl-2,4-dimethyl-7-phenyl-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C23H21ClN5O2+ MolecularWeight: 434.89814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=[N+]1C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(N(C2=[N+]1C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H20ClN5O2/c1-4-17-18(14-9-6-5-7-10-14)28(16-12-8-11-15(24)13-16)22-25-20-19(29(17)22)21(30)27(3)23(31)26(20)2/h5-13H,4H2,1-3H3/p+1