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

Systemtic Name: 6-(3-chlorophenyl)-7-(4-fluorophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chlorophenyl)-7-(4-fluorophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chlorophenyl)-7-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chlorophenyl)-7-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chlorophenyl)-7-(4-fluorophenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H15ClFN5O2 MolecularWeight: 423.827503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H15ClFN5O2/c1-25-18-17(19(29)26(2)21(25)30)27-11-16(12-6-8-14(23)9-7-12)28(20(27)24-18)15-5-3-4-13(22)10-15/h3-11H,1-2H3