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

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-2,4-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H20BrN5O2 MolecularWeight: 478.3412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H20BrN5O2/c1-26-20-19(21(30)27(2)23(26)31)29-14-18(16-8-10-17(24)11-9-16)28(22(29)25-20)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3