(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (Q27095960)

adenosine-derived inhibitor, 7 (English)

19 October 2016

chemical formula

C₁₇H₁₈Cl₂N₆O₄

1 reference

adenosine-derived inhibitor, 7 (English)

19 October 2016

canonical SMILES

C1=CC(=C(C=C1CNC2=NC3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)Cl)Cl

1 reference

adenosine-derived inhibitor, 7 (English)

19 October 2016

isomeric SMILES

C1=CC(=C(C=C1CNC2=NC3=C(N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N=CN=C3N)Cl)Cl

1 reference

adenosine-derived inhibitor, 7 (English)

InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

adenosine-derived inhibitor, 7 (English)

VBJKVZXRYLCYGQ-XNIJJKJLSA-N

19 October 2016

InChIKey

1 reference

adenosine-derived inhibitor, 7 (English)

19 October 2016

1 reference

8-[(3,4-Dichlorobenzyl)amino]adenosine (English)

19 October 2016

1 reference

adenosine-derived inhibitor, 7 (English)

19 October 2016

1 reference

CHEMBL516357 (English)

19 October 2016

1 reference

1 reference

(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (English)

19 October 2016

0 references

0 references

1 reference

3FZK (English)