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

Systemtic Name: 6-(1-adamantylmethyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1-adamantylmethyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1-adamantylmethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1-adamantylmethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(1-adamantylmethyl)-2,4-dimethyl-7-phenyl-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)CC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

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