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

Systemtic Name: 6-(3-fluoranyl-4-methyl-phenyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-fluoro-4-methyl-phenyl)-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-fluoro-4-methylphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-fluoro-4-methylphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-fluoro-4-methyl-phenyl)-2,4,7-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C17H16FN5O2 MolecularWeight: 341.339643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)F

InChI

InChI=1S/C17H16FN5O2/c1-9-5-6-11(7-12(9)18)23-10(2)8-22-13-14(19-16(22)23)20(3)17(25)21(4)15(13)24/h5-8H,1-4H3