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

Systemtic Name: 2,4-dimethyl-7-(4-methylphenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-(p-tolyl)-6-(3-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(4-methylphenyl)-6-(3-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-(4-methylphenyl)-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-(p-tolyl)-6-(3-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H20N6O2 MolecularWeight: 400.4332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CN=CC=C5)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CN=CC=C5)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C22H20N6O2/c1-14-6-8-16(9-7-14)17-13-28-18-19(25(2)22(30)26(3)20(18)29)24-21(28)27(17)12-15-5-4-10-23-11-15/h4-11,13H,12H2,1-3H3