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Substance Name: 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-
RN: 139156-99-3
InChIKey: YGPUDJAMABVHDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-N4-S

Molecular Weight

  • 294.3806
 
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Names and Synonyms

Synonyms

  • 5,6-Trimethylene-7-thiocarbamoyl-4-phenylpyrrolo(3,2-d)pyrimidine
  • 7,8-Dihydro-4-phenyl-6H-pyrimido(4,5-b)pyrrolizine-9-carbothioamide
  • BRN 5446797

Systematic Name

  • 6H-Pyrimido(4,5-b)pyrrolizine-9-carbothioamide, 7,8-dihydro-4-phenyl-

Registry Numbers

CAS Registry Number

  • 139156-99-3

System Generated Number

  • 0139156993

Structure Descriptors

InChI

1S/C16H14N4S/c17-16(21)12-11-7-4-8-20(11)15-13(18-9-19-14(12)15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,17,21)

InChIKey

YGPUDJAMABVHDH-UHFFFAOYSA-N

Smiles

NC(=S)c1c2CCCn2c3c(ncnc13)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 858, 1991.