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

Systemtic Name: 6-(4-butylphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O2 MolecularWeight: 427.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-4-5-9-17-12-14-19(15-13-17)30-20(18-10-7-6-8-11-18)16-29-21-22(26-24(29)30)27(2)25(32)28(3)23(21)31/h6-8,10-16H,4-5,9H2,1-3H3