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2-Chloro-9-[(3S)-3-deoxy-3-(hydroxymethyl)-3-methyl-α-D-threo-pentofuranosyl]-9H-purin-6-amine

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Catalog No. : NC382283

CAS No. : 1187859-67-1

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₂H₁₆ClN₅O₄

Chemical Name : 2-Chloro-9-[(3S)-3-deoxy-3-(hydroxymethyl)-3-methyl-α-D-threo-pentofuranosyl]-9H-purin-6-amine

Molecular Weight : 329.74

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Basic information

Standard English name
Cas No.	1187859-67-1
Alias	((2S,3S,4S,5S)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-hydroxy-3-methyltetrahydrofuran-2,3-diyl)dimethanol
Canonical Smiles	C[C@@]1(CO)[C@@H](CO)O[C@@H]([C@H]1O)N1C=NC2=C(N)N=C(Cl)N=C12
MDL No.
Exact Mass	329.08908
Smiles	NC1=C2N=CN([C@@H](O[C@@H]([C@]3(CO)C)CO)[C@H]3O)C2=NC(Cl)=N1

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Inchi	InChI=1S/C12H16ClN5O4/c1-12(3-20)5(2-19)22-10(7(12)21)18-4-15-6-8(14)16-11(13)17-9(6)18/h4-5,7,10,19-21H,2-3H2,1H3,(H2,14,16,17)/t5-,7-,10+,12-/m1/s1
InchiKey	AETVBMCEFLVIMG-VZVSLXCLSA-N
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