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

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-octoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-octoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-octoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-octoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(4-octoxyphenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C29H32BrN5O3 MolecularWeight: 578.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H32BrN5O3/c1-4-5-6-7-8-9-18-38-23-16-14-22(15-17-23)35-24(20-10-12-21(30)13-11-20)19-34-25-26(31-28(34)35)32(2)29(37)33(3)27(25)36/h10-17,19H,4-9,18H2,1-3H3