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1-Deoxy-N-ethyl-1-[6-(methoxyamino)-2-[2-(4-methylphenyl)ethynyl]-9H-purin-9-yl]-β-D-ribofuranuronamide

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Catalog No. : NC97540

CAS No. : 672299-45-5

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₂H₂₄N₆O₅

Chemical Name : 1-Deoxy-N-ethyl-1-[6-(methoxyamino)-2-[2-(4-methylphenyl)ethynyl]-9H-purin-9-yl]-β-D-ribofuranuronamide

Molecular Weight : 452.46

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Basic information

Standard English name
Cas No.	672299-45-5
Alias	(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(methoxyamino)-2-(p-tolylethynyl)-9H-purin-9-yl)tetrahydrofuran-2-carboxamide
Canonical Smiles	CC1C=CC(=CC=1)C#CC1N=C2C(N=CN2[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)=C(NOC)N=1
MDL No.
Exact Mass	452.18082
Smiles	O[C@H]1[C@H](N2C=NC3=C(NOC)N=C(C#CC4=CC=C(C)C=C4)N=C23)O[C@H](C(NCC)=O)[C@H]1O

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Inchi	InChI=1S/C22H24N6O5/c1-4-23-21(31)18-16(29)17(30)22(33-18)28-11-24-15-19(27-32-3)25-14(26-20(15)28)10-9-13-7-5-12(2)6-8-13/h5-8,11,16-18,22,29-30H,4H2,1-3H3,(H,23,31)(H,25,26,27)/t16-,17+,18-,22+/m0/s1
InchiKey	KPJPDMWJONEJFH-RQXXJAGISA-N
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