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Substance Name: Purine, 6-(2-propynylthio)-
RN: 79515-86-9
InChIKey: XUTFGQCVGBZCJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-N4-S

Molecular Weight

  • 190.2294
 
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Names and Synonyms

Synonyms

  • 6-(2-Propynylthio)purine
  • AI3-50253
  • NSC 22025

Systematic Names

  • 1H-Purine, 6-(2-propynylthio)-
  • Purine, 6-(2-propynylthio)-

Registry Numbers

CAS Registry Number

  • 79515-86-9

System Generated Number

  • 0079515869

Structure Descriptors

InChI

1S/C8H6N4S/c1-2-3-13-8-6-7(10-4-9-6)11-5-12-8/h1,4-5H,3H2,(H,9,10,11,12)

InChIKey

XUTFGQCVGBZCJL-UHFFFAOYSA-N

Smiles

C#CCSc1c2c([nH]cn2)ncn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 144mg/kg (144mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.