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Details

Stereochemistry ACHIRAL
Molecular Formula C19H16ClN5O2S
Molecular Weight 413.881
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-N-[4-(methylsulfonyl)phenyl]-9-(phenylmethyl)-9H-purin-6-amine

SMILES

CS(=O)(=O)C1=CC=C(NC2=NC(Cl)=NC3=C2N=CN3CC4=CC=CC=C4)C=C1

InChI

InChIKey=RLYAXKDVFDEGQS-UHFFFAOYSA-N
InChI=1S/C19H16ClN5O2S/c1-28(26,27)15-9-7-14(8-10-15)22-17-16-18(24-19(20)23-17)25(12-21-16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C19H16ClN5O2S
Molecular Weight 413.881
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:23:05 GMT 2025
Edited
by admin
on Mon Mar 31 23:23:05 GMT 2025
Record UNII
95KFD8HXX9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloro-N-[4-(methylsulfonyl)phenyl]-9-(phenylmethyl)-9H-purin-6-amine
Systematic Name English
9H-Purin-6-amine, 2-chloro-N-[4-(methylsulfonyl)phenyl]-9-(phenylmethyl)-
Preferred Name English
Code System Code Type Description
FDA UNII
95KFD8HXX9
Created by admin on Mon Mar 31 23:23:05 GMT 2025 , Edited by admin on Mon Mar 31 23:23:05 GMT 2025
PRIMARY
PUBCHEM
5271941
Created by admin on Mon Mar 31 23:23:05 GMT 2025 , Edited by admin on Mon Mar 31 23:23:05 GMT 2025
PRIMARY
CAS
125802-56-4
Created by admin on Mon Mar 31 23:23:05 GMT 2025 , Edited by admin on Mon Mar 31 23:23:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID20925286
Created by admin on Mon Mar 31 23:23:05 GMT 2025 , Edited by admin on Mon Mar 31 23:23:05 GMT 2025
PRIMARY