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1-[2-Chloro-6-(methylamino)-9H-purin-9-yl]-1-deoxy-N-(3,3-diphenylpropyl)-4-thio-β-Dribofuranuronamide

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Catalog No. : NC17911

CAS No. : 871914-05-5

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₆H₂₇ClN₆O₃S

Chemical Name : 1-[2-Chloro-6-(methylamino)-9H-purin-9-yl]-1-deoxy-N-(3,3-diphenylpropyl)-4-thio-β-Dribofuranuronamide

Molecular Weight : 539.05

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Basic information

Standard English name
Cas No.	871914-05-5
Alias	(2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-N-(3,3-diphenylpropyl)-3,4-dihydroxytetrahydrothiophene-2-carboxamide
Canonical Smiles	CNC1N=C(Cl)N=C2C=1N=CN2[C@@H]1S[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCC(C1C=CC=CC=1)C1C=CC=CC=1
MDL No.
Exact Mass	538.15539
Smiles	O[C@H]1[C@H](N2C=NC3=C(NC)N=C(Cl)N=C23)S[C@H](C(NCCC(C4=CC=CC=C4)C5=CC=CC=C5)=O)[C@H]1O

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Inchi	InChI=1S/C26H27ClN6O3S/c1-28-22-18-23(32-26(27)31-22)33(14-30-18)25-20(35)19(34)21(37-25)24(36)29-13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19-21,25,34-35H,12-13H2,1H3,(H,29,36)(H,28,31,32)/t19-,20+,21-,25+/m0/s1
InchiKey	IHCAEVVKKTZTSQ-UGCAPWQASA-N
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