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Substance Name: Urea, N-(3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-4-propoxyphenyl)-N'-(1-methylethyl)-
RN: 66975-71-1
InChIKey: XWJGFLXQFRFFFL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N7-O3

Molecular Weight

  • 371.3989
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66975-71-1

System Generated Number

  • 0066975711

Structure Descriptors

InChI

1S/C17H21N7O3/c1-4-7-27-12-6-5-10(19-17(26)18-9(2)3)8-11(12)14-20-15-13(16(25)21-14)22-24-23-15/h5-6,8-9H,4,7H2,1-3H3,(H2,18,19,26)(H2,20,21,22,23,24,25)

InChIKey

XWJGFLXQFRFFFL-UHFFFAOYSA-N

Smiles

CCCOc1ccc(cc1c2[nH]c3c(c(=O)n2)[nH]nn3)NC(=O)NC(C)C

Toxicity

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