BARICITINIB ,1187594-09-7 _Chemical Cloud Database

BARICITINIB

Basic Information
Product Name：	BARICITINIB
CAS：	1187594-09-7 ;1187595-84-1
English Synonyms：	BARICITINIB (LY3009104, INCB028050) ; 2-(3-(4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-1-(ETHYLSULFONYL)AZETIDIN-3-YL)ACETONITRILE ; INCB424-ANALOGUE ; 2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE ; 3-AZETIDINEACETONITRILE, 1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]- ; BARICITINIB
MDL Number.：	MFCD21608464
H bond acceptor：	9
H bond donor：	1
Smile：	CCS(=O)(=O)N1CC(C1)(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3
InChi：	InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
InChiKey：	InChIKey=XUZMWHLSFXCVMG-UHFFFAOYSA-N
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