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

Systemtic Name: 6-(2-methoxy-5-methyl-phenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-methoxy-5-methyl-phenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-methoxy-5-methyl-phenyl)-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H25N5O4 MolecularWeight: 471.5078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C26H25N5O4/c1-15-11-12-21(35-5)19(13-15)30-16(2)17(3)31-22-23(27-25(30)31)28(4)26(34)29(24(22)33)14-20(32)18-9-7-6-8-10-18/h6-13H,14H2,1-5H3