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

Systemtic Name: 6-(4-butylphenyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-7-(4-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H27N5O3/c1-5-6-7-17-8-12-19(13-9-17)31-21(18-10-14-20(34-4)15-11-18)16-30-22-23(27-25(30)31)28(2)26(33)29(3)24(22)32/h8-16H,5-7H2,1-4H3