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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C26H29N5O2/c1-15-5-4-6-19(7-15)31-20(26-11-16-8-17(12-26)10-18(9-16)13-26)14-30-21-22(27-24(30)31)28(2)25(33)29(3)23(21)32/h4-7,14,16-18H,8-13H2,1-3H3