8-[(4-bromanyl-2-fluoranyl-phenoxy)methyl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[(4-bromanyl-2-fluoranyl-phenoxy)methyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-[(4-bromo-2-fluoro-phenoxy)methyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[(4-bromo-2-fluorophenoxy)methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[(4-bromo-2-fluorophenoxy)methyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[(4-bromo-2-fluoro-phenoxy)methyl]-3-butyl-7-ethyl-xanthine Formula: C18H20BrFN4O3 MolecularWeight: 439.278803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)Br)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)Br)F)CC

InChI

InChI=1S/C18H20BrFN4O3/c1-3-5-8-24-16-15(17(25)22-18(24)26)23(4-2)14(21-16)10-27-13-7-6-11(19)9-12(13)20/h6-7,9H,3-5,8,10H2,1-2H3,(H,22,25,26)