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Substance Name: Triphosphoric acid, P-(2-((3,4-dihydro-5-methyl-2,4-dioxo-6-(phenylthio)-1(2H)-pyrimidinyl)methoxy)ethyl) ester
RN: 125400-24-0
InChIKey: JRYKCAQHVWMLLS-UHFFFAOYSA-N

Molecular Formula

  • C14-H19-N2-O13-P3-S

Molecular Weight

  • 548.2931
 
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Names and Synonyms

Synonyms

  • 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine-triphosphate
  • HEPT-TP

Systematic Name

  • Triphosphoric acid, P-(2-((3,4-dihydro-5-methyl-2,4-dioxo-6-(phenylthio)-1(2H)-pyrimidinyl)methoxy)ethyl) ester

Registry Numbers

CAS Registry Number

  • 125400-24-0

System Generated Number

  • 0125400240

Structure Descriptors

InChI

1S/C14H19N2O13P3S/c1-10-12(17)15-14(18)16(13(10)33-11-5-3-2-4-6-11)9-26-7-8-27-31(22,23)29-32(24,25)28-30(19,20)21/h2-6H,7-9H2,1H3,(H,22,23)(H,24,25)(H,15,17,18)(H2,19,20,21)

InChIKey

JRYKCAQHVWMLLS-UHFFFAOYSA-N

Smiles

Cc1c(=O)[nH]c(=O)n(c1Sc2ccccc2)COCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O