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Substance Name: N1,N3-Bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine
RN: 126565-13-7
InChIKey: BRANLRGEABFFJE-UHFFFAOYSA-N

Molecular Formula

  • C28-H11-F15-N4-O3

Molecular Weight

  • 736.39
 
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Names and Synonyms

Name of Substance

  • N1,N3-Bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine

Synonyms

  • (Pfbz)3-N7-hex
  • 3,7-Dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 126565-13-7

System Generated Number

  • 0126565137

Structure Descriptors

InChI

1S/C28H11F15N4O3/c29-13-4-1-10(16(32)19(13)35)26(38,39)46-23-22(24(48)47(25(46)49)27(40,41)11-2-5-14(30)20(36)17(11)33)45(9-44-23)7-8-50-28(42,43)12-3-6-15(31)21(37)18(12)34/h1-6,9H,7-8H2

InChIKey

BRANLRGEABFFJE-UHFFFAOYSA-N

Smiles

n1(cnc2n(c(=O)n(c(=O)c12)C(c1c(c(c(cc1)F)F)F)(F)F)C(c1c(c(c(cc1)F)F)F)(F)F)CCOC(c1c(c(c(cc1)F)F)F)(F)F