6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[(4-methoxyphenyl)methyl]-4,7,8-trimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-p-anisyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC4=CC=C(C=C4)OC)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC4=CC=C(C=C4)OC)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

InChI

InChI=1S/C26H27N5O3/c1-17-18(2)31-22-23(27-25(31)30(17)16-20-10-12-21(34-4)13-11-20)28(3)26(33)29(24(22)32)15-14-19-8-6-5-7-9-19/h5-13H,14-16H2,1-4H3