6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(2-methoxy-5-methyl-phenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-11-6-7-15(29-5)14(8-11)25-12(2)9-23-16-17(21-19(23)25)22(4)20(28)24(18(16)27)10-13(3)26/h6-9H,10H2,1-5H3