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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-phenyl-6-piperonyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C23H19N5O4/c1-25-20-19(21(29)26(2)23(25)30)28-12-16(15-6-4-3-5-7-15)27(22(28)24-20)11-14-8-9-17-18(10-14)32-13-31-17/h3-10,12H,11,13H2,1-2H3