6-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-4,9-diium-1,3-dione

Systemtic Name: 6-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-4,9-diium-1,3-dione Openeye Name: 6-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-4,9-diium-1,3-dione CAS Name: 6-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-4,9-diium-1,3-dione IUPAC Name: 6-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-4,9-diium-1,3-dione Traditional Name: 6-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-4,9-diium-1,3-quinone Formula: C26H23N7O3+2 MolecularWeight: 481.50592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=C[N+]4=C5C(=[N+](C(=O)N(C5=O)C)C)N=C34)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=C[N+]4=C5C(=[N+](C(=O)N(C5=O)C)C)N=C34)C6=CC=CC=C6

InChI

InChI=1S/C26H23N7O3/c1-16-20(24(35)33(30(16)4)18-13-9-6-10-14-18)32-19(17-11-7-5-8-12-17)15-31-21-22(27-25(31)32)28(2)26(36)29(3)23(21)34/h5-15H,1-4H3/q+2