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fumaric acid--(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)--(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one--4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (1/1/1/1)

Catalog No. :
ACPYHR136
CAS No. :
731772-50-2
Molecular Formula :
C45H53ClF4N9O19PS
Molecular Weight :
1198.45

IUPAC Name:fumaric acid--(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)--(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one--4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (1/1/1/1)

fumaric acid--(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)--(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one--4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (1/1/1/1) structure diagram
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Product Namefumaric acid--(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)--(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one--4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (1/1/1/1)
IUPAC Namefumaric acid--(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)--(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one--4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (1/1/1/1)
Molecular FormulaC45H53ClF4N9O19PS
Molecular Weight1198.45
SMILESCC(C)OC(=O)OCOP(=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C21)OCOC(=O)OC(C)C.NC1=NC(=O)N([C@@H]2CS[C@H](CO)O2)C=C1F.O=C(O)/C=C/C(=O)O.O=C1NC2=CC=C(Cl)C=C2[C@@](C#CC2CC2)(C(F)(F)F)O1
InChI KeyQDRMCFDXPIEYGX-NWRGJBOJSA-N
CAS No.731772-50-2

Synthetic Route by SureRoute

1. ACPYHR136 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACPYHR136 route product structure diagram
    ACPYHR136731772-50-2
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2. ACPYHR136 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACKIQW295 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACPYHR136 route product structure diagram
    ACPYHR136731772-50-2
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