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

Systemtic Name: 6-(4-ethoxyphenyl)-7-(4-heptylphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-ethoxyphenyl)-7-(4-heptylphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-ethoxyphenyl)-7-(4-heptylphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-ethoxyphenyl)-7-(4-heptylphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-heptylphenyl)-2,4-dimethyl-6-p-phenetyl-purin[7,8-a]imidazole-1,3-quinone Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)OCC)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2C5=CC=C(C=C5)OCC)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C30H35N5O3/c1-5-7-8-9-10-11-21-12-14-22(15-13-21)25-20-34-26-27(32(3)30(37)33(4)28(26)36)31-29(34)35(25)23-16-18-24(19-17-23)38-6-2/h12-20H,5-11H2,1-4H3