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

Systemtic Name: 7-(4-bromophenyl)-6-(3-hexoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-6-(3-hexoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-6-(3-hexoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-6-(3-hexoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-6-(3-hexoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H28BrN5O3 MolecularWeight: 550.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H28BrN5O3/c1-4-5-6-7-15-36-21-10-8-9-20(16-21)33-22(18-11-13-19(28)14-12-18)17-32-23-24(29-26(32)33)30(2)27(35)31(3)25(23)34/h8-14,16-17H,4-7,15H2,1-3H3