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

Systemtic Name: 7-(1-adamantyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-2,4-dimethyl-6-(2-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-2,4-dimethyl-6-(2-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-2,4-dimethyl-6-(2-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C25H28N6O2 MolecularWeight: 444.52882

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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=N4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=N4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C25H28N6O2/c1-28-21-20(22(32)29(2)24(28)33)31-14-19(25-10-15-7-16(11-25)9-17(8-15)12-25)30(23(31)27-21)13-18-5-3-4-6-26-18/h3-6,14-17H,7-13H2,1-2H3