6-(3,5-dimethylphenyl)-4,7-dimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3,5-dimethylphenyl)-4,7-dimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(3,5-dimethylphenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,5-dimethylphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,5-dimethylphenyl)-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(3,5-dimethylphenyl)-4,7-dimethyl-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/c1-6-7-23-18(26)16-17(22(5)20(23)27)21-19-24(16)11-14(4)25(19)15-9-12(2)8-13(3)10-15/h6,8-11H,1,7H2,2-5H3