6-(3-chloranyl-4-fluoranyl-phenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-chloranyl-4-fluoranyl-phenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-fluoro-phenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-fluorophenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-fluorophenyl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-fluoro-phenyl)-8-ethyl-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H19ClFN5O2 MolecularWeight: 451.880663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC(=C(C=C4)F)Cl)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC(=C(C=C4)F)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H19ClFN5O2/c1-4-17-18(13-8-6-5-7-9-13)29(14-10-11-16(25)15(24)12-14)22-26-20-19(30(17)22)21(31)28(3)23(32)27(20)2/h5-12H,4H2,1-3H3