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2-Amino-9-[2-deoxy-4-C-ethynyl-2-(fluoromethyl)-β-D-arabinofuranosyl]-1,9-dihydro-6H-purin-6-one

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Catalog No. : NC17682

CAS No. : 1158729-66-8

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₃H₁₄FN₅O₄

Chemical Name : 2-Amino-9-[2-deoxy-4-C-ethynyl-2-(fluoromethyl)-β-D-arabinofuranosyl]-1,9-dihydro-6H-purin-6-one

Molecular Weight : 323.28

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Basic information

Standard English name
Cas No.	1158729-66-8
Alias	2-amino-9-((2R,3S,4S,5R)-5-ethynyl-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one
Canonical Smiles	C#C[C@]1(CO)O[C@H]([C@@H](CF)[C@@H]1O)N1C=NC2C(=O)NC(N)=NC1=2
MDL No.
Exact Mass	323.10298
Smiles	O=C1NC(N)=NC2=C1N=CN2[C@H]3[C@@H](CF)[C@@H]([C@](CO)(C#C)O3)O

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Inchi	InChI=1S/C13H14FN5O4/c1-2-13(4-20)8(21)6(3-14)11(23-13)19-5-16-7-9(19)17-12(15)18-10(7)22/h1,5-6,8,11,20-21H,3-4H2,(H3,15,17,18,22)/t6-,8-,11+,13+/m0/s1
InchiKey	XKYGSBDQOASXNR-HQFATVJPSA-N
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