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

Systemtic Name: 6-(1-adamantylmethyl)-7-(4-bromophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1-adamantylmethyl)-7-(4-bromophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1-adamantylmethyl)-7-(4-bromophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1-adamantylmethyl)-7-(4-bromophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(1-adamantylmethyl)-7-(4-bromophenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H28BrN5O2 MolecularWeight: 522.43682

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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=C(C=C7)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrN5O2/c1-29-22-21(23(33)30(2)25(29)34)31-13-20(18-3-5-19(27)6-4-18)32(24(31)28-22)14-26-10-15-7-16(11-26)9-17(8-15)12-26/h3-6,13,15-17H,7-12,14H2,1-2H3