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

Systemtic Name: 7-(4-heptylphenyl)-2,4-dimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-heptylphenyl)-2,4-dimethyl-6-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-heptylphenyl)-2,4-dimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-heptylphenyl)-2,4-dimethyl-6-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-heptylphenyl)-2,4-dimethyl-6-(p-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C29H33N5O2 MolecularWeight: 483.60462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O2/c1-5-6-7-8-9-10-21-13-15-22(16-14-21)24-19-33-25-26(31(3)29(36)32(4)27(25)35)30-28(33)34(24)23-17-11-20(2)12-18-23/h11-19H,5-10H2,1-4H3