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Substance Name: Purine, 6-(phenylthio)-
RN: 5450-35-1
InChIKey: CTDPZFBZKUUAED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-N4-S

Molecular Weight

  • 228.2782
 
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Names and Synonyms

Synonyms

  • 4-26-00-01985 (Beilstein Handbook Reference)
  • 6-(Phenylthio)purine
  • AI3-52068
  • BRN 0013668
  • NSC 15746

Systematic Names

  • 1H-Purine, 6-(phenylthio)-
  • Purine, 6-(phenylthio)-

Registry Numbers

CAS Registry Number

  • 5450-35-1

System Generated Number

  • 0005450351

Structure Descriptors

InChI

1S/C11H8N4S/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H,12,13,14,15)

InChIKey

CTDPZFBZKUUAED-UHFFFAOYSA-N

Smiles

c1ccc(cc1)Sc2c3c([nH]cn3)ncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 89mg/kg (89mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.