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

Systemtic Name: 7-(4-ethoxyphenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-ethoxyphenyl)-2,4-dimethyl-6-(3-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-ethoxyphenyl)-2,4-dimethyl-6-(3-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-ethoxyphenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-p-phenetyl-6-(3-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H22N6O3 MolecularWeight: 430.45918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CN=CC=C5)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CC5=CN=CC=C5)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C23H22N6O3/c1-4-32-17-9-7-16(8-10-17)18-14-29-19-20(26(2)23(31)27(3)21(19)30)25-22(29)28(18)13-15-6-5-11-24-12-15/h5-12,14H,4,13H2,1-3H3