7-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-oxidanylbutyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-oxidanylbutyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1,3-benzodioxol-5-yl)-6-(4-hydroxybutyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1,3-benzodioxol-5-yl)-6-(4-hydroxybutyl)-4-methylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1,3-benzodioxol-5-yl)-6-(4-hydroxybutyl)-4-methylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1,3-benzodioxol-5-yl)-6-(4-hydroxybutyl)-4-methyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CCCCO)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CCCCO)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H19N5O5/c1-22-16-15(17(26)21-19(22)27)24-9-12(23(18(24)20-16)6-2-3-7-25)11-4-5-13-14(8-11)29-10-28-13/h4-5,8-9,25H,2-3,6-7,10H2,1H3,(H,21,26,27)