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Substance Name: Purin-2-ol, 6-(benzylthio)-
RN: 5446-42-4
InChIKey: XKLXGBRBFJZZOP-UHFFFAOYSA-N

Molecular Formula

  • C12-H10-N4-O-S

Molecular Weight

  • 258.304
 
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Names and Synonyms

Synonyms

  • 6-(Benzylthio)purin-2-ol
  • NSC 17268
  • Purin-2-ol, 6-(benzylthio)-

Systematic Names

  • 3H-Purin-3-one, 1,7-dihydro-6-((phenylmethyl)thio)- (9CI)
  • Purin-2-ol, 6-(benzylthio)-

Registry Numbers

CAS Registry Number

  • 5446-42-4

System Generated Number

  • 0005446424

Structure Descriptors

InChI

1S/C12H10N4OS/c17-12-15-10-9(13-7-14-10)11(16-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)

InChIKey

XKLXGBRBFJZZOP-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CSc2c3c([nH]cn3)nc(=O)[nH]2

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#03047,