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

Systemtic Name: 7-(1-adamantyl)-6-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-6-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-6-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-6-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-6-(4-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-28-22-21(23(32)29(2)25(28)33)30-14-20(26-11-15-8-16(12-26)10-17(9-15)13-26)31(24(30)27-22)18-4-6-19(34-3)7-5-18/h4-7,14-17H,8-13H2,1-3H3