4,7-dimethyl-2,6-diphenethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2,6-diphenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2,6-diphenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2,6-diphenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2,6-diphenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2,6-diphenethyl-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=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C

InChI

InChI=1S/C25H25N5O2/c1-18-17-30-21-22(26-24(30)28(18)15-13-19-9-5-3-6-10-19)27(2)25(32)29(23(21)31)16-14-20-11-7-4-8-12-20/h3-12,17H,13-16H2,1-2H3