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Substance Name: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
RN: 54855-57-1
InChIKey: ZFHSFIYERFEZIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-N5-O-S.2Cl-H

Molecular Weight

  • 338.2613
 
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Names and Synonyms

Synonym

  • 2-((2-(((5-Methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-4(1H)-pyrimidinone 2HCl

Systematic Name

  • 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 54855-57-1

System Generated Number

  • 0054855571

Molecular Formulas

Molecular Formula

  • C11-H15-N5-O-S.2Cl-H

Molecular Formula Fragments

  • C11-H15-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H15N5OS.2ClH/c1-8-9(15-7-14-8)6-18-5-4-13-11-12-3-2-10(17)16-11;;/h2-3,7H,4-6H2,1H3,(H,14,15)(H2,12,13,16,17);2*1H

InChIKey

ZFHSFIYERFEZIA-UHFFFAOYSA-N

Smiles

Cc1c(nc[nH]1)CSCCNc2[nH]ccc(=O)n2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 161mg/kg (161mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 53, 1988.