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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18ClN5O4
Molecular Weight 403.82
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [(2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzoate

SMILES

CC1=CC=C(C=C1)C(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=NC4=C3N=C(Cl)N=C4N

InChI

InChIKey=RZCCJFDLEZJJIP-YNEHKIRRSA-N
InChI=1S/C18H18ClN5O4/c1-9-2-4-10(5-3-9)17(26)27-7-12-11(25)6-13(28-12)24-8-21-14-15(20)22-18(19)23-16(14)24/h2-5,8,11-13,25H,6-7H2,1H3,(H2,20,22,23)/t11-,12+,13+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Adenosine, 2-chloro-2?-deoxy-, 5?-(4-methylbenzoate)
Preferred Name English
[(2R,3S,5R)-5-(6-Amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzoate
Systematic Name English
Code System Code Type Description
FDA UNII
3VN72UVM6B
Created by admin on Wed Apr 02 12:14:21 GMT 2025 , Edited by admin on Wed Apr 02 12:14:21 GMT 2025
PRIMARY
PUBCHEM
101663275
Created by admin on Wed Apr 02 12:14:21 GMT 2025 , Edited by admin on Wed Apr 02 12:14:21 GMT 2025
PRIMARY
CAS
152463-97-3
Created by admin on Wed Apr 02 12:14:21 GMT 2025 , Edited by admin on Wed Apr 02 12:14:21 GMT 2025
PRIMARY