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

Systemtic Name: 2,4-dimethyl-6-(4-octoxyphenyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(4-octoxyphenyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(4-octoxyphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(4-octoxyphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(4-octoxyphenyl)-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C29H33N5O3 MolecularWeight: 499.60402

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O3/c1-4-5-6-7-8-12-19-37-23-17-15-22(16-18-23)34-24(21-13-10-9-11-14-21)20-33-25-26(30-28(33)34)31(2)29(36)32(3)27(25)35/h9-11,13-18,20H,4-8,12,19H2,1-3H3