2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-(o-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(4-fluorobenzyl)-4,7-dimethyl-6-(o-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H20FN5O2 MolecularWeight: 417.435603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC=C(C=C5)F)C

InChI

InChI=1S/C23H20FN5O2/c1-14-6-4-5-7-18(14)29-15(2)12-27-19-20(25-22(27)29)26(3)23(31)28(21(19)30)13-16-8-10-17(24)11-9-16/h4-12H,13H2,1-3H3