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Substance Name: Pyrimidine, 2-anilino-4-chloro-6-(4-methylpiperazino)-5-methylthio-
RN: 55921-67-0
InChIKey: WTYDEBIGLNBNNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-Cl-N5-S

Molecular Weight

  • 349.888
 
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Names and Synonyms

Synonyms

  • 2-Anilino-4-chloro-6-(4-methylpiperazino)-5-methylthiopyrimidine
  • 2-Phenylamino-4-methylpiperazino-6-chloro-5-methylthio-pyrimidine
  • 5-25-12-00572 (Beilstein Handbook Reference)
  • BRN 0896739

Systematic Name

  • Pyrimidine, 2-anilino-4-chloro-6-(4-methylpiperazino)-5-methylthio-

Registry Numbers

CAS Registry Number

  • 55921-67-0

System Generated Number

  • 0055921670

Structure Descriptors

InChI

1S/C16H20ClN5S/c1-21-8-10-22(11-9-21)15-13(23-2)14(17)19-16(20-15)18-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,19,20)

InChIKey

WTYDEBIGLNBNNF-UHFFFAOYSA-N

Smiles

c1(nc(Nc2ccccc2)nc(c1SC)Cl)N1CCN(CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.