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Substance Name: 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
RN: 774-07-2
InChIKey: DKTWKRWWQKVQQB-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N3-O2-S

Molecular Weight

  • 199.233
 
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Names and Synonyms

Synonyms

  • 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
  • Ethyl 4-amino-2-mercapto-5-pyrimidinecarboxylate
  • NSC 9308

Systematic Names

  • 5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester (9CI)
  • 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester

Registry Numbers

CAS Registry Number

  • 774-07-2

System Generated Number

  • 0000774072

Structure Descriptors

InChI

1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)

InChIKey

DKTWKRWWQKVQQB-UHFFFAOYSA-N

Smiles

n1c(c(C(=O)OCC)cnc1S)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03521,