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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20ClN5O
Molecular Weight 357.837
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-Chlorophenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine

SMILES

ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C4N=CNC4=N2)=C1

InChI

InChIKey=OUEGMEMDEAOAEG-UHFFFAOYSA-N
InChI=1S/C18H20ClN5O/c19-13-7-4-8-14(9-13)22-18-23-16-15(20-11-21-16)17(24-18)25-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,20,21,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H20ClN5O
Molecular Weight 357.837
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 Wed Apr 02 07:11:55 GMT 2025
Edited
by admin
on Wed Apr 02 07:11:55 GMT 2025
Record UNII
7ZB2ZT8JKM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-Chlorophenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine
Systematic Name English
9H-Purin-2-amine, N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-
Preferred Name English
Code System Code Type Description
PUBCHEM
4565
Created by admin on Wed Apr 02 07:11:55 GMT 2025 , Edited by admin on Wed Apr 02 07:11:55 GMT 2025
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FDA UNII
7ZB2ZT8JKM
Created by admin on Wed Apr 02 07:11:55 GMT 2025 , Edited by admin on Wed Apr 02 07:11:55 GMT 2025
PRIMARY
CAS
444722-81-0
Created by admin on Wed Apr 02 07:11:55 GMT 2025 , Edited by admin on Wed Apr 02 07:11:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID10274437
Created by admin on Wed Apr 02 07:11:55 GMT 2025 , Edited by admin on Wed Apr 02 07:11:55 GMT 2025
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