Ibrutinib N-2

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Ibrutinib N-2

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Catalog Number	PR330786248
CAS	330786-24-8
Structure
Synonyms	3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name	3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Weight	303.32
Molecular Formula	C17H13N5O
InChI	YYVUOZULIDAKRN-UHFFFAOYSA-N
InChI Key	InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
Applications/Corresponding APIs	Ibrutinib
EC Number	810-090-0
Isomeric SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N
MDL Number	MFCD20270360

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