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

Systemtic Name: 6-(2-butoxyphenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-butoxyphenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-butoxyphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-butoxyphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-butoxyphenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)OC

InChI

InChI=1S/C26H27N5O4/c1-5-6-14-35-21-13-8-7-12-19(21)31-20(17-10-9-11-18(15-17)34-4)16-30-22-23(27-25(30)31)28(2)26(33)29(3)24(22)32/h7-13,15-16H,5-6,14H2,1-4H3