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

Systemtic Name: 6-(2-fluorophenyl)-2-hexyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-fluorophenyl)-2-hexyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-fluorophenyl)-2-hexyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-fluorophenyl)-2-hexyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-fluorophenyl)-2-hexyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H24FN5O2 MolecularWeight: 397.445963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=CC=C4F)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC=CC=C4F)C)N(C1=O)C

InChI

InChI=1S/C21H24FN5O2/c1-4-5-6-9-12-25-19(28)17-18(24(3)21(25)29)23-20-26(17)13-14(2)27(20)16-11-8-7-10-15(16)22/h7-8,10-11,13H,4-6,9,12H2,1-3H3