4-[2,4-dimethyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]benzenecarbonitrile

Systemtic Name: 4-[2,4-dimethyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]benzenecarbonitrile Openeye Name: 4-(2,4-dimethyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-6-yl)benzonitrile CAS Name: 4-(2,4-dimethyl-1,3-dioxo-7-phenyl-6-purino[7,8-a]imidazolyl)benzonitrile IUPAC Name: 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)benzonitrile Traditional Name: 4-(1,3-diketo-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazol-6-yl)benzonitrile Formula: C22H16N6O2 MolecularWeight: 396.40144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C22H16N6O2/c1-25-19-18(20(29)26(2)22(25)30)27-13-17(15-6-4-3-5-7-15)28(21(27)24-19)16-10-8-14(12-23)9-11-16/h3-11,13H,1-2H3