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Substance Name: (1)Benzothieno(2,3-d)pyrimidin-3(4H)-amine, 5,6,7,8-tetrahydro-2-(methylthio)-4-phenyl-, monohydriodide
RN: 135718-67-1
InChIKey: HFNBFWNVVBUGBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-N3-S2.H-I

Molecular Weight

  • 457.398
 
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Names and Synonyms

Synonym

  • 3-Amino-4-phenyl-2-methylmercapto-3,4,5,6,7,8-hexahydrobenzo(4,5)thieno(2,3-d)pyrimidine HI

Systematic Name

  • (1)Benzothieno(2,3-d)pyrimidin-3(4H)-amine, 5,6,7,8-tetrahydro-2-(methylthio)-4-phenyl-, monohydriodide

Registry Numbers

CAS Registry Number

  • 135718-67-1

System Generated Number

  • 0135718671

Molecular Formulas

Molecular Formula

  • C17-H19-N3-S2.H-I

Molecular Formula Fragments

  • C17-H19-N3-S2
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C17H19N3S2.HI/c1-21-17-19-16-14(12-9-5-6-10-13(12)22-16)15(20(17)18)11-7-3-2-4-8-11;/h2-4,7-8,15H,5-6,9-10,18H2,1H3;1H

InChIKey

HFNBFWNVVBUGBH-UHFFFAOYSA-N

Smiles

CSC1=Nc2c(c3c(s2)CCCC3)C(N1N)c4ccccc4.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 323, 1991.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Archiv der Pharmazie Vol. 327, Pg. 779, 1994.