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

Systemtic Name: 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclohexyl-2-[(4-fluorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclohexyl-2-(4-fluorobenzyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H24FN5O2 MolecularWeight: 409.456663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4CCCCC4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCCC4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)F)C

InChI

InChI=1S/C22H24FN5O2/c1-14-12-26-18-19(24-21(26)28(14)17-6-4-3-5-7-17)25(2)22(30)27(20(18)29)13-15-8-10-16(23)11-9-15/h8-12,17H,3-7,13H2,1-2H3