7-(4-fluorophenyl)-6-(2-methoxy-5-methyl-phenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-fluorophenyl)-6-(2-methoxy-5-methyl-phenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-fluorophenyl)-6-(2-methoxy-5-methyl-phenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-fluorophenyl)-6-(2-methoxy-5-methylphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-fluorophenyl)-6-(2-methoxy-5-methylphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-fluorophenyl)-6-(2-methoxy-5-methyl-phenyl)-4-methyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H18FN5O3 MolecularWeight: 419.408423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H18FN5O3/c1-12-4-9-17(31-3)15(10-12)28-16(13-5-7-14(23)8-6-13)11-27-18-19(24-21(27)28)26(2)22(30)25-20(18)29/h4-11H,1-3H3,(H,25,29,30)