7-(3-methoxyphenyl)-2,4-dimethyl-6-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(3-methoxyphenyl)-2,4-dimethyl-6-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-7-(3-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N5O4 MolecularWeight: 473.52368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC(=CC=C5)OC

InChI

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