2-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-[3-(methylsulfanyl)phenyl]acetamide

Catalog No. :
ACUBIF550
CAS No. :
1775444-74-0
Molecular Formula :
C21H23N5O4S
Molecular Weight :
441.51

IUPAC Name:2-(4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl)-N-(3-(methylthio)phenyl)acetamide

2-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-[3-(methylsulfanyl)phenyl]acetamide structure diagram
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Product Information

Product Name2-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
IUPAC Name2-(4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl)-N-(3-(methylthio)phenyl)acetamide
Molecular FormulaC21H23N5O4S
Molecular Weight441.51
SMILESO=C(NC1=CC=CC(SC)=C1)CN2C(N3C(CCCCC3)=C(C4=NOC(C)=N4)C2=O)=O
InChI KeyCLXZAHJDRWSQPZ-UHFFFAOYSA-N
Synonym2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-[3-(methylsulfanyl)phenyl]acetamide;Pyrimido[1,6-a]azepine-2(1H)-acetamide, 3,5,6,7,8,9-hexahydro-4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(methylthio)phenyl]-1,3-dioxo-
CAS No.1775444-74-0

Synthetic Route by SureRoute

1. ACUBIF550 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. ACUBIF550 route product structure diagram
    ACUBIF5501775444-74-0
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2. ACUBIF550 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACGEWJ685 route compound structure diagram
    ACGEWJ68585126-64-3 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACUBIF550 route product structure diagram
    ACUBIF5501775444-74-0
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