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Substance Name: Purine, 6-((3,4-dimethylbenzyl)thio)-
RN: 82499-09-0
InChIKey: WEBGUJBZGMNFSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N4-S

Molecular Weight

  • 270.3586
 
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Names and Synonyms

Synonyms

  • 6-(((3,4-Dimethylphenyl)methyl)thio)purine
  • 6-((3,4-Dimethylbenzyl)thio)purine
  • BRN 0542899
  • NSC 48713

Systematic Name

  • Purine, 6-((3,4-dimethylbenzyl)thio)-

Registry Numbers

CAS Registry Number

  • 82499-09-0

System Generated Number

  • 0082499090

Structure Descriptors

InChI

1S/C14H14N4S/c1-9-3-4-11(5-10(9)2)6-19-14-12-13(16-7-15-12)17-8-18-14/h3-5,7-8H,6H2,1-2H3,(H,15,16,17,18)

InChIKey

WEBGUJBZGMNFSM-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1C)CSc2c3c([nH]cn3)ncn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 171mg/kg (171mg/kg)   Journal of Pharmaceutical Sciences. Vol. 71, Pg. 618, 1982.