Home > Product Catalog > Product category > Nucleoside > 5'-S-[2-(Acetylamino)ethyl]-N-ethyl-N-[(3-nitrophenyl)methyl]-5'-thioadenosine

5'-S-[2-(Acetylamino)ethyl]-N-ethyl-N-[(3-nitrophenyl)methyl]-5'-thioadenosine

Catalog No. : NC371070

CAS No. : 1240044-51-2

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₃H₂₉N₇O₆S

Chemical Name : 5'-S-[2-(Acetylamino)ethyl]-N-ethyl-N-[(3-nitrophenyl)methyl]-5'-thioadenosine

Molecular Weight : 531.58

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Basic information

Standard English name
Cas No.	1240044-51-2
Alias	N-(2-((((2S,3S,4R,5R)-5-(6-(ethyl(3-nitrobenzyl)amino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)ethyl)acetamide
Canonical Smiles	CC(=O)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N(CC1C=C(C=CC=1)[N+]([O-])=O)CC
MDL No.
Exact Mass	531.19000
Smiles	O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)N(CC)CC3=CC=CC([N+]([O-])=O)=C3)O4)O)[C@H]4CSCCNC(C)=O

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Inchi	InChI=1S/C23H29N7O6S/c1-3-28(10-15-5-4-6-16(9-15)30(34)35)21-18-22(26-12-25-21)29(13-27-18)23-20(33)19(32)17(36-23)11-37-8-7-24-14(2)31/h4-6,9,12-13,17,19-20,23,32-33H,3,7-8,10-11H2,1-2H3,(H,24,31)/t17-,19-,20-,23-/m1/s1
InchiKey	KMLJFLJBTSYYBI-ZDXOVATRSA-N
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