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

Systemtic Name: 6-(4-bromophenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-bromophenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-bromophenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H18BrN5O3 MolecularWeight: 480.31402

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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)Br)C5=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN5O3/c1-25-19-18(20(29)26(2)22(25)30)27-12-17(13-5-4-6-16(11-13)31-3)28(21(27)24-19)15-9-7-14(23)8-10-15/h4-12H,1-3H3