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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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