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

Systemtic Name: 7-(3-methoxyphenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(3-methoxyphenyl)-2,4-dimethyl-6-(3-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(3-methoxyphenyl)-2,4-dimethyl-6-(3-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(3-methoxyphenyl)-2,4-dimethyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(3-methoxyphenyl)-2,4-dimethyl-6-(3-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C22H20N6O3/c1-25-19-18(20(29)26(2)22(25)30)28-13-17(15-7-4-8-16(10-15)31-3)27(21(28)24-19)12-14-6-5-9-23-11-14/h4-11,13H,12H2,1-3H3