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

Systemtic Name: 7-(4-heptylphenyl)-6-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-heptylphenyl)-6-(3-methoxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-heptylphenyl)-6-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-heptylphenyl)-6-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-heptylphenyl)-6-(3-methoxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O3/c1-5-6-7-8-9-11-20-14-16-21(17-15-20)24-19-33-25-26(31(2)29(36)32(3)27(25)35)30-28(33)34(24)22-12-10-13-23(18-22)37-4/h10,12-19H,5-9,11H2,1-4H3