1-[3-(2-bromanyl-4-fluoranyl-phenoxy)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(2-bromanyl-4-fluoranyl-phenoxy)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(2-bromo-4-fluoro-phenoxy)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(2-bromo-4-fluorophenoxy)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(2-bromo-4-fluorophenoxy)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(2-bromo-4-fluoro-phenoxy)propyl]-3,7-dimethyl-xanthine Formula: C16H16BrFN4O3 MolecularWeight: 411.225643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=C(C=C(C=C3)F)Br

InChI

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