8-bromanyl-9-[3-(4-fluoranylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[3-(4-fluoranylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[3-(4-fluorophenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[3-(4-fluorophenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[3-(4-fluorophenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[3-(4-fluorophenoxy)propyl]-1,3-dimethyl-xanthine Formula: C16H16BrFN4O3 MolecularWeight: 411.225643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCOC3=CC=C(C=C3)F)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCCOC3=CC=C(C=C3)F)Br

InChI

InChI=1S/C16H16BrFN4O3/c1-20-13-12(14(23)21(2)16(20)24)19-15(17)22(13)8-3-9-25-11-6-4-10(18)5-7-11/h4-7H,3,8-9H2,1-2H3