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

Systemtic Name: 6-(4-butylphenyl)-7-(4-ethoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-7-(4-ethoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-7-(4-ethoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-7-(4-ethoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2,4-dimethyl-7-p-phenetyl-purin[7,8-a]imidazole-1,3-quinone Formula: C27H29N5O3 MolecularWeight: 471.55086

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-5-7-8-18-9-13-20(14-10-18)32-22(19-11-15-21(16-12-19)35-6-2)17-31-23-24(28-26(31)32)29(3)27(34)30(4)25(23)33/h9-17H,5-8H2,1-4H3