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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride
RN: 71351-53-6
InChIKey: NYDBUAOXTSYPNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-Br-N5-O-S.3Cl-H

Molecular Weight

  • 555.7537
 
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Names and Synonyms

  • 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-((6-methyl-3-pyridinyl)methyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 71351-53-6

System Generated Number

  • 0071351536

Molecular Formulas

Molecular Formula

  • C19-H20-Br-N5-O-S.3Cl-H

Molecular Formula Fragments

  • C19-H20-Br-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20BrN5OS.3ClH/c1-13-4-5-14(10-23-13)9-15-11-24-19(25-18(15)26)22-7-8-27-12-17-16(20)3-2-6-21-17;;;/h2-6,10-11H,7-9,12H2,1H3,(H2,22,24,25,26);3*1H

InChIKey

NYDBUAOXTSYPNN-UHFFFAOYSA-N

Smiles

Cc1ccc(cn1)Cc2c[nH]c(nc2=O)NCCSCc3c(cccn3)Br.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67mg/kg (67mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.