PARP7-IN-16

Catalog No. :
ACBPXI576
CAS No. :
2435657-10-4
Molecular Formula :
C25H26FN4NaO4
Molecular Weight :
488.49

IUPAC Name:sodium 1-(4-fluoro-3-(3-oxo-4-(pentan-3-yl)piperazine-1-carbonyl)benzyl)-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-ide

PARP7-IN-16 structure diagram
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Product Information

Product NamePARP7-IN-16
IUPAC Namesodium 1-(4-fluoro-3-(3-oxo-4-(pentan-3-yl)piperazine-1-carbonyl)benzyl)-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-ide
Molecular FormulaC25H26FN4NaO4
Molecular Weight488.49
SMILESO=C1[N-]C(N(CC2=CC=C(F)C(C(N3CC(N(C(CC)CC)CC3)=O)=O)=C2)C4=C1C=CC=C4)=O.[Na+]
InChI KeyHBKQJEOJZXXHOE-UHFFFAOYSA-M
SynonymPARP7-IN-16;2,4(1H,3H)-Quinazolinedione, 1-[[3-[[4-(1-ethylpropyl)-3-oxo-1-piperazinyl]carbonyl]-4-fluorophenyl]methyl]-, sodium salt (1:1)
CAS No.2435657-10-4

Synthetic Route by SureRoute

1. ACBPXI576 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACBPXI576 route product structure diagram
    ACBPXI5762435657-10-4
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2. ACBPXI576 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. ACBPXI576 route product structure diagram
    ACBPXI5762435657-10-4
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