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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C22H17N5O4/c1-24-19-18(20(28)25(2)22(24)29)26-11-15(13-6-4-3-5-7-13)27(21(26)23-19)14-8-9-16-17(10-14)31-12-30-16/h3-11H,12H2,1-2H3