8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine

CAS Registry Number®

1134156-53-8
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CAS Name

8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine

Molecular Formula

C21H21BrN6O4

Molecular Mass

501.33

Cite this Page

8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1134156-53-8 (retrieved 2024-08-14) (CAS RN: 1134156-53-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H21BrN6O4/c1-21(2)31-15-13(9-29-8-12-5-3-11(7-23)4-6-12)30-19(16(15)32-21)28-18-14(27-20(28)22)17(24)25-10-26-18/h3-6,10,13,15-16,19H,8-9H2,1-2H3,(H2,24,25,26)/t13-,15-,16-,19-/m1/s1

InChIKey

InChIKey=XSPCSNCZRVWYLT-NVQRDWNXSA-N

SMILES

BrC=1N([C@H]2[C@]3([C@@]([C@@H](COCC4=CC=C(C#N)C=C4)O2)(OC(C)(C)O3)[H])[H])C=5C(N1)=C(N)N=CN5

Canonical SMILES

N#CC1=CC=C(C=C1)COCC2OC(N3C(Br)=NC=4C(=NC=NC43)N)C5OC(OC25)(C)C

Other Names for this Substance

  • Adenosine, 8-bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)-
  • 8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine
  • 4-((((3AR,4R,6R,6aR)-6-(6-amino-8-bromo-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)methyl)benzonitrile