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Adenosine, N-[4-[2-[[4-[2-[[2-[[[(4-fluorophenyl)amino]thioxomethyl]amino]ethyl]amino]-2-oxoethyl]phenyl]amino]-2-oxoethyl]phenyl]-

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Catalog No. : NC379480

CAS No. : 120059-38-3

Product Level :

Brand : NewCan Bio

Molecular Formula : C₃₅H₃₆FN₉O₆S

Chemical Name : Adenosine, N-[4-[2-[[4-[2-[[2-[[[(4-fluorophenyl)amino]thioxomethyl]amino]ethyl]amino]-2-oxoethyl]phenyl]amino]-2-oxoethyl]phenyl]-

Molecular Weight : 729.78

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Basic information

Standard English name
Cas No.	120059-38-3
Alias	2-(4-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)phenyl)-N-(4-(2-((2-(3-(4-fluorophenyl)thioureido)ethyl)amino)-2-oxoethyl)phenyl)acetamide
Canonical Smiles	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2C1=NC=NC=2NC1C=CC(CC(=O)NC2C=CC(CC(=O)NCCNC(=S)NC3C=CC(F)=CC=3)=CC=2)=CC=1
MDL No.
Exact Mass	729.24933
Smiles	OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)NC4=CC=C(CC(NC5=CC=C(CC(NCCNC(NC6=CC=C(F)C=C6)=S)=O)C=C5)=O)C=C4)O1)O)O

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Inchi	InChI=1S/C35H36FN9O6S/c36-22-5-11-25(12-6-22)44-35(52)38-14-13-37-27(47)15-20-1-7-23(8-2-20)42-28(48)16-21-3-9-24(10-4-21)43-32-29-33(40-18-39-32)45(19-41-29)34-31(50)30(49)26(17-46)51-34/h1-12,18-19,26,30-31,34,46,49-50H,13-17H2,(H,37,47)(H,42,48)(H2,38,44,52)(H,39,40,43)/t26-,30-,31-,34-/m1/s1
InchiKey	ZFSVXCLNCYTCLT-IPKYDJNASA-N
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