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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-difluorophenyl)ethenyl)-, (E)-
RN: 155271-80-0
InChIKey: NNRRICBQLOHSKV-AATRIKPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F2-N4-O2

Molecular Weight

  • 346.3354
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(3,5-difluorophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3,5-Difluorostyryl)-1,3-diethylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-difluorophenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-80-0

System Generated Number

  • 0155271800

Structure Descriptors

InChI

1S/C17H16F2N4O2/c1-3-22-15-14(16(24)23(4-2)17(22)25)20-13(21-15)6-5-10-7-11(18)9-12(19)8-10/h5-9H,3-4H2,1-2H3,(H,20,21)/b6-5+

InChIKey

NNRRICBQLOHSKV-AATRIKPKSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cc(cc(c3)F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,