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

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

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCC5=CC=CC=C5)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCC5=CC=CC=C5)N(C(=O)N(C4=O)C)C

InChI

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