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

Systemtic Name: 6-(2,3-dimethylphenyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2,3-dimethylphenyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2,3-dimethylphenyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2,3-dimethylphenyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2,3-dimethylphenyl)-4,7-dimethyl-2-phenethyl-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:

CC1=C(C(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC5=CC=CC=C5)C)C

InChI

InChI=1S/C25H25N5O2/c1-16-9-8-12-20(18(16)3)30-17(2)15-29-21-22(26-24(29)30)27(4)25(32)28(23(21)31)14-13-19-10-6-5-7-11-19/h5-12,15H,13-14H2,1-4H3