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

Systemtic Name: 7-(4-heptylphenyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-heptylphenyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-heptylphenyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-heptylphenyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-heptylphenyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O3/c1-4-5-6-7-8-9-19-10-12-20(13-11-19)23-18-32-24-25(30(2)28(36)31(3)26(24)35)29-27(32)33(23)21-14-16-22(34)17-15-21/h10-18,34H,4-9H2,1-3H3