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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-
RN: 101072-11-1
InChIKey: YOZJBCXNEXYZLN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H9-Br-N4-O3-S

Molecular Weight

  • 369.1981
 
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Names and Synonyms

Synonyms

  • 8-Bromo-3,7-dihydro-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-1H-purine-2,6-dione
  • BRN 5620880

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 101072-11-1

System Generated Number

  • 0101072111

Structure Descriptors

InChI

1S/C12H9BrN4O3S/c1-16-9-8(10(19)15-12(16)20)17(11(13)14-9)5-6(18)7-3-2-4-21-7/h2-4H,5H2,1H3,(H,15,19,20)

InChIKey

YOZJBCXNEXYZLN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Br)CC(=O)c3cccs3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 638mg/kg (638mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 253, 1986.