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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC(=CC=C5)Br)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC(=CC=C5)Br)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C23H20BrN5O2/c1-4-14-8-10-15(11-9-14)18-13-28-19-20(26(2)23(31)27(3)21(19)30)25-22(28)29(18)17-7-5-6-16(24)12-17/h5-13H,4H2,1-3H3