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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CC=CC=C5)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CC=CC=C5)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C29H33N5O2/c1-4-5-6-7-9-12-21-15-17-23(18-16-21)24-20-34-25-26(31(2)29(36)32(3)27(25)35)30-28(34)33(24)19-22-13-10-8-11-14-22/h8,10-11,13-18,20H,4-7,9,12,19H2,1-3H3