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Substance Name: 1,3,5-Triazine-2,4-diamine, 6-(4-(2-benzofuranylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-
RN: 87813-68-1
InChIKey: WJHIOLCCKAPEAS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N7-O

Molecular Weight

  • 405.5033
 
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Names and Synonyms

Synonyms

  • 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(benzofuran-2-ylmethyl)piperazine
  • 6-(4-(2-Benzofuranylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine

Systematic Name

  • 1,3,5-Triazine-2,4-diamine, 6-(4-(2-benzofuranylmethyl)-1-piperazinyl)-N,N'-di-2-propenyl-

Registry Numbers

CAS Registry Number

  • 87813-68-1

System Generated Number

  • 0087813681

Structure Descriptors

InChI

1S/C22H27N7O/c1-3-9-23-20-25-21(24-10-4-2)27-22(26-20)29-13-11-28(12-14-29)16-18-15-17-7-5-6-8-19(17)30-18/h3-8,15H,1-2,9-14,16H2,(H2,23,24,25,26,27)

InChIKey

WJHIOLCCKAPEAS-UHFFFAOYSA-N

Smiles

C=CCNc1nc(nc(n1)N2CCN(CC2)Cc3cc4ccccc4o3)NCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4529729,