8-(5-bromanyl-2-fluoranyl-phenyl)-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-(5-bromanyl-2-fluoranyl-phenyl)-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-(5-bromo-2-fluoro-phenyl)-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-(5-bromo-2-fluorophenyl)-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-(5-bromo-2-fluorophenyl)-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-(5-bromo-2-fluoro-phenyl)-3-butyl-7-ethyl-xanthine Formula: C17H18BrFN4O2 MolecularWeight: 409.252823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrFN4O2/c1-3-5-8-23-15-13(16(24)21-17(23)25)22(4-2)14(20-15)11-9-10(18)6-7-12(11)19/h6-7,9H,3-5,8H2,1-2H3,(H,21,24,25)