2-[4-methyl-1,3-bis(oxidanylidene)-6,7-diphenyl-purino[7,8-a]imidazol-2-yl]ethanoate

Systemtic Name: 2-[4-methyl-1,3-bis(oxidanylidene)-6,7-diphenyl-purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: 2-(4-methyl-1,3-dioxo-6,7-diphenyl-purino[7,8-a]imidazol-2-yl)acetate CAS Name: 2-(4-methyl-1,3-dioxo-6,7-diphenyl-2-purino[7,8-a]imidazolyl)acetate IUPAC Name: 2-(4-methyl-1,3-dioxo-6,7-diphenylpurino[7,8-a]imidazol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-methyl-6,7-diphenyl-purin[7,8-a]imidazol-2-yl)acetate Formula: C22H16N5O4- MolecularWeight: 414.39354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)[O-])N3C=C(N(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)[O-])N3C=C(N(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N5O4/c1-24-19-18(20(30)26(22(24)31)13-17(28)29)25-12-16(14-8-4-2-5-9-14)27(21(25)23-19)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,28,29)/p-1