7-(4-methoxyphenyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 7-(4-methoxyphenyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 7-(4-methoxyphenyl)-2,4-dimethyl-6-(2-pyridylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 7-(4-methoxyphenyl)-2,4-dimethyl-6-(2-pyridinylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 7-(4-methoxyphenyl)-2,4-dimethyl-6-(pyridin-2-ylmethyl)-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 7-(4-methoxyphenyl)-2,4-dimethyl-6-(2-pyridylmethyl)-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C22H21N6O3+ MolecularWeight: 417.44054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+]3=C(N2)N(C(=C3)C4=CC=C(C=C4)OC)CC5=CC=CC=N5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+]3=C(N2)N(C(=C3)C4=CC=C(C=C4)OC)CC5=CC=CC=N5

InChI

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