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Substance Name: Propanedioic acid, (((3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-4-methoxyphenyl)amino)methylene)-, diethyl ester
RN: 66975-63-1
InChIKey: RFUSGEGBEZJORG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N6-O6

Molecular Weight

  • 428.403
 
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Names and Synonyms

Synonym

  • 2-(5-(2,2-Bis(ethoxycarbonyl)vinylamino)-2-methoxyphenyl)-8-azapurin-6-one

Systematic Name

  • Propanedioic acid, (((3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-4-methoxyphenyl)amino)methylene)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 66975-63-1

System Generated Number

  • 0066975631

Structure Descriptors

InChI

1S/C19H20N6O6/c1-4-30-18(27)12(19(28)31-5-2)9-20-10-6-7-13(29-3)11(8-10)15-21-16-14(17(26)22-15)23-25-24-16/h6-9,20H,4-5H2,1-3H3,(H2,21,22,23,24,25,26)

InChIKey

RFUSGEGBEZJORG-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=CNc1ccc(c(c1)c2[nH]c3c(c(=O)n2)[nH]nn3)OC)C(=O)OCC

Toxicity

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