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Substance Name: Thiourea, N-(3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-4-propoxyphenyl)-N'-propyl-
RN: 66975-74-4
InChIKey: CQQHFPWZNISSQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N7-O2-S

Molecular Weight

  • 387.4659
 
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Names and Synonyms

Synonym

  • 2-(2-Propoxy-5-(3-propyl-2-thioureido)phenyl)-8-azapurin-6-one

Systematic Name

  • Thiourea, N-(3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-4-propoxyphenyl)-N'-propyl-

Registry Numbers

CAS Registry Number

  • 66975-74-4

System Generated Number

  • 0066975744

Structure Descriptors

InChI

1S/C17H21N7O2S/c1-3-7-18-17(27)19-10-5-6-12(26-8-4-2)11(9-10)14-20-15-13(16(25)21-14)22-24-23-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,19,27)(H2,20,21,22,23,24,25)

InChIKey

CQQHFPWZNISSQL-UHFFFAOYSA-N

Smiles

CCCNC(=S)Nc1ccc(c(c1)c2[nH]c3c(c(=O)n2)[nH]nn3)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4167568,