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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
RN: 155271-82-2
InChIKey: YTPVZGZXIQZGGU-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N5-O4

Molecular Weight

  • 355.3523
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(3-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(3-nitrostyryl)xanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-82-2

System Generated Number

  • 0155271822

Structure Descriptors

InChI

1S/C17H17N5O4/c1-3-20-15-14(16(23)21(4-2)17(20)24)18-13(19-15)9-8-11-6-5-7-12(10-11)22(25)26/h5-10H,3-4H2,1-2H3,(H,18,19)/b9-8+

InChIKey

YTPVZGZXIQZGGU-CMDGGOBGSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cccc(c3)[N+](=O)[O-]

Toxicity

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