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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H17N5O3S
Molecular Weight 323.371
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AST-004

SMILES

CSC1=NC2=C(N=CN2[C@@H]3[C@H]4C[C@@]4(CO)[C@@H](O)[C@H]3O)C(N)=N1

InChI

InChIKey=JIOYSICKCSNHFB-XEMBYONJSA-N
InChI=1S/C13H17N5O3S/c1-22-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,3-19)9(21)8(7)20/h4-5,7-9,19-21H,2-3H2,1H3,(H2,14,16,17)/t5-,7-,8+,9+,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H17N5O3S
Molecular Weight 323.371
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:56:28 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:28 GMT 2025
Record UNII
7RZ2348VW5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AST004
Preferred Name English
AST-004
Code English
MRS4322
Code English
Bicyclo[3.1.0]hexane-2,3-diol, 4-[6-amino-2-(methylthio)-9H-purin-9-yl]-1-(hydroxymethyl)-, (1R,2R,3S,4R,5S)-
Common Name English
MRS-4322
Code English
(1R,2R,3S,4R,5S)-4-[6-Amino-2-(methylthio)-9H-purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Systematic Name English
Code System Code Type Description
CAS
907561-76-6
Created by admin on Wed Apr 02 20:56:28 GMT 2025 , Edited by admin on Wed Apr 02 20:56:28 GMT 2025
PRIMARY
SMS_ID
300000043643
Created by admin on Wed Apr 02 20:56:28 GMT 2025 , Edited by admin on Wed Apr 02 20:56:28 GMT 2025
PRIMARY
PUBCHEM
132006887
Created by admin on Wed Apr 02 20:56:28 GMT 2025 , Edited by admin on Wed Apr 02 20:56:28 GMT 2025
PRIMARY
FDA UNII
7RZ2348VW5
Created by admin on Wed Apr 02 20:56:28 GMT 2025 , Edited by admin on Wed Apr 02 20:56:28 GMT 2025
PRIMARY
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ACTIVE MOIETY