7-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-1,3-dimethyl-xanthine Formula: C22H19FN4O4 MolecularWeight: 422.409063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC(=C3)F)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C22H19FN4O4/c1-25-19-17(20(28)26(2)22(25)29)27(12-24-19)10-14-8-16(23)9-15-11-30-21(31-18(14)15)13-6-4-3-5-7-13/h3-9,12,21H,10-11H2,1-2H3