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Substance Name: 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-
RN: 135446-12-7
InChIKey: NRRVBVUJZQFJGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-N6-O2

Molecular Weight

  • 296.2888
 
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Names and Synonyms

Synonyms

  • 2,5,6,9-Tetrahydro-9-methyl-6-benzyl-3H-1,2,4-triazolo(3,4-i)purine-3,5-dione
  • 6,9-Dihydro-9-methyl-6-(phenylmethyl)-3H-1,2,4-triazolo(3,4-i)purine-3,5(2H)-dione

Systematic Name

  • 3H-1,2,4-Triazolo(3,4-i)purine-3,5(2H)-dione, 6,9-dihydro-9-methyl-6-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 135446-12-7

System Generated Number

  • 0135446127

Structure Descriptors

InChI

1S/C14H12N6O2/c1-18-8-15-11-10(18)12-16-17-13(21)20(12)14(22)19(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,21)

InChIKey

NRRVBVUJZQFJGG-UHFFFAOYSA-N

Smiles

Cn1cnc2c1c3n[nH]c(=O)n3c(=O)n2Cc4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5173492,