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Substance Name: Purine, 6-(m-fluorobenzylthio)-
RN: 73972-54-0
InChIKey: VBRFYTXQKPWMEZ-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-F-N4-S

Molecular Weight

  • 260.2951
 
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Names and Synonyms

Synonyms

  • 4-26-00-01986 (Beilstein Handbook Reference)
  • 6-(m-Fluorobenzylthio)purine
  • BRN 0088327
  • NSC 18400
  • Purine, 6-(m-fluorobenzylthio)-

Systematic Names

  • 1H-Purine, 6-(((3-fluorophenyl)methyl)thio)- (9CI)
  • Purine, 6-(m-fluorobenzylthio)-

Registry Numbers

CAS Registry Number

  • 73972-54-0

System Generated Number

  • 0073972540

Structure Descriptors

InChI

1S/C12H9FN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)

InChIKey

VBRFYTXQKPWMEZ-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)F)CSc2c3c([nH]cn3)ncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03048,