4,7-dimethyl-6-(3-methylphenyl)-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-6-(3-methylphenyl)-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-(2-methylallyl)-6-(m-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-(3-methylphenyl)-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(3-methylphenyl)-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-2-(2-methylallyl)-6-(m-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-12(2)10-24-18(26)16-17(22(5)20(24)27)21-19-23(16)11-14(4)25(19)15-8-6-7-13(3)9-15/h6-9,11H,1,10H2,2-5H3