8-(3-bromanyl-4-fluoranyl-phenyl)-3-butyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-fluoranyl-phenyl)-3-butyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(3-bromo-4-fluoro-phenyl)-3-butyl-7-pentyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-fluorophenyl)-3-butyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(3-bromo-4-fluorophenyl)-3-butyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(3-bromo-4-fluoro-phenyl)-3-butyl-xanthine Formula: C20H24BrFN4O2 MolecularWeight: 451.332563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC(=C(C=C3)F)Br)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC(=C(C=C3)F)Br)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C20H24BrFN4O2/c1-3-5-7-11-25-16-18(26(10-6-4-2)20(28)24-19(16)27)23-17(25)13-8-9-15(22)14(21)12-13/h8-9,12H,3-7,10-11H2,1-2H3,(H,24,27,28)