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

Systemtic Name: 7-(1-adamantyl)-2,4-dimethyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-6-benzyl-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-2,4-dimethyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-6-benzyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-6-benzyl-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C26H29N5O2/c1-28-22-21(23(32)29(2)25(28)33)31-15-20(26-11-17-8-18(12-26)10-19(9-17)13-26)30(24(31)27-22)14-16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3