6-(4-ethylphenyl)-7-(4-fluorophenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-ethylphenyl)-7-(4-fluorophenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-ethylphenyl)-7-(4-fluorophenyl)-4-methyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-ethylphenyl)-7-(4-fluorophenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-ethylphenyl)-7-(4-fluorophenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-ethylphenyl)-7-(4-fluorophenyl)-4-methyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H18FN5O2 MolecularWeight: 403.409023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H18FN5O2/c1-3-13-4-10-16(11-5-13)28-17(14-6-8-15(23)9-7-14)12-27-18-19(24-21(27)28)26(2)22(30)25-20(18)29/h4-12H,3H2,1-2H3,(H,25,29,30)