8-bromanyl-7-(4-fluorophenyl)-6-phenyl-4-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 8-bromanyl-7-(4-fluorophenyl)-6-phenyl-4-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-benzyl-8-bromo-7-(4-fluorophenyl)-6-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 8-bromo-7-(4-fluorophenyl)-6-phenyl-4-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-benzyl-8-bromo-7-(4-fluorophenyl)-6-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-benzyl-8-bromo-7-(4-fluorophenyl)-6-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H17BrFN5O2 MolecularWeight: 530.347883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N4C(=C(N(C4=N3)C5=CC=CC=C5)C6=CC=C(C=C6)F)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N4C(=C(N(C4=N3)C5=CC=CC=C5)C6=CC=C(C=C6)F)Br

InChI

InChI=1S/C26H17BrFN5O2/c27-22-20(17-11-13-18(28)14-12-17)32(19-9-5-2-6-10-19)25-29-23-21(33(22)25)24(34)30-26(35)31(23)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,30,34,35)