7-(1,3-benzodioxol-4-yl)-6-(2-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(1,3-benzodioxol-4-yl)-6-(2-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1,3-benzodioxol-4-yl)-6-(2-methoxyphenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1,3-benzodioxol-4-yl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1,3-benzodioxol-4-yl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1,3-benzodioxol-4-yl)-6-(2-methoxyphenyl)-4-methyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=CC=C4OC)C5=C6C(=CC=C5)OCO6

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)C4=CC=CC=C4OC)C5=C6C(=CC=C5)OCO6

InChI

InChI=1S/C22H17N5O5/c1-25-19-17(20(28)24-22(25)29)26-10-14(12-6-5-9-16-18(12)32-11-31-16)27(21(26)23-19)13-7-3-4-8-15(13)30-2/h3-10H,11H2,1-2H3,(H,24,28,29)