7-(1-adamantyl)-2,4-dimethyl-6-(4-oxidanylbutyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(1-adamantyl)-2,4-dimethyl-6-(4-oxidanylbutyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-6-(4-hydroxybutyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-6-(4-hydroxybutyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-6-(4-hydroxybutyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-6-(4-hydroxybutyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCCO)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCCO)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H31N5O3/c1-25-19-18(20(30)26(2)22(25)31)28-13-17(27(21(28)24-19)5-3-4-6-29)23-10-14-7-15(11-23)9-16(8-14)12-23/h13-16,29H,3-12H2,1-2H3