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English
(S)-N-[[3-Amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluorobenzamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
400.18231576399995
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-D]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₂F₂N₆O
0 references
canonical SMILES
CCc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4F)C3)c12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
0 references
InChIKey
MOZRQQTUYAYCQT-FQEVSTJZSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
1004990-28-6
0 references
PubChem CID
25061501
1 reference
matched by identifier from
InChIKey
InChIKey
MOZRQQTUYAYCQT-FQEVSTJZSA-N
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