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

Systemtic Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-(pyridin-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-(2-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-(2-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-(pyridin-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-(2-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H22N6O2 MolecularWeight: 414.45978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N6O2/c1-4-17-18(15-10-6-5-7-11-15)28(14-16-12-8-9-13-24-16)22-25-20-19(29(17)22)21(30)27(3)23(31)26(20)2/h5-13H,4,14H2,1-3H3