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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10ClN5O
Molecular Weight 275.694
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-{[(4-chlorophenyl)methyl]amino}-1H-purin-6-ol

SMILES

OC1=NC(NCC2=CC=C(Cl)C=C2)=NC3=C1N=CN3

InChI

InChIKey=CYIICQJYPMRJFT-UHFFFAOYSA-N
InChI=1S/C12H10ClN5O/c13-8-3-1-7(2-4-8)5-14-12-17-10-9(11(19)18-12)15-6-16-10/h1-4,6H,5H2,(H3,14,15,16,17,18,19)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-{[(4-chlorophenyl)methyl]amino}-1H-purin-6-ol
Systematic Name English
NSC-682523
Preferred Name English
2-((4-CHLOROBENZYL)AMINO)-9H-PURIN-6-OL
Systematic Name English
6H-Purin-6-one, 2-[[(4-chlorophenyl)methyl]amino]-1,9-dihydro-
Systematic Name English
2-[(4-Chlorophenyl)methylamino]-3,7-dihydropurin-6-one
Systematic Name English
2-(4-chlorobenzylamino)-6-hydroxypurine
Systematic Name English
Code System Code Type Description
CAS
123994-85-4
Created by admin on Wed Apr 02 11:42:43 GMT 2025 , Edited by admin on Wed Apr 02 11:42:43 GMT 2025
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NSC
682523
Created by admin on Wed Apr 02 11:42:43 GMT 2025 , Edited by admin on Wed Apr 02 11:42:43 GMT 2025
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EPA CompTox
DTXSID70154180
Created by admin on Wed Apr 02 11:42:43 GMT 2025 , Edited by admin on Wed Apr 02 11:42:43 GMT 2025
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PUBCHEM
388062
Created by admin on Wed Apr 02 11:42:43 GMT 2025 , Edited by admin on Wed Apr 02 11:42:43 GMT 2025
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FDA UNII
5YJM86LF9V
Created by admin on Wed Apr 02 11:42:43 GMT 2025 , Edited by admin on Wed Apr 02 11:42:43 GMT 2025
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