U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H20ClN5O
Molecular Weight 393.869
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-N-[3-(1-methylethoxy)phenyl]-9-(phenylmethyl)-9H-purin-6-amine

SMILES

CC(C)OC1=CC(NC2=NC(Cl)=NC3=C2N=CN3CC4=CC=CC=C4)=CC=C1

InChI

InChIKey=FGRVYPNAORNBIF-UHFFFAOYSA-N
InChI=1S/C21H20ClN5O/c1-14(2)28-17-10-6-9-16(11-17)24-19-18-20(26-21(22)25-19)27(13-23-18)12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C21H20ClN5O
Molecular Weight 393.869
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 23:23:04 GMT 2025
Edited
by admin
on Mon Mar 31 23:23:04 GMT 2025
Record UNII
68V6956TSK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9H-Purin-6-amine, 2-chloro-N-[3-(1-methylethoxy)phenyl]-9-(phenylmethyl)-
Preferred Name English
2-Chloro-N-[3-(1-methylethoxy)phenyl]-9-(phenylmethyl)-9H-purin-6-amine
Systematic Name English
Code System Code Type Description
FDA UNII
68V6956TSK
Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025
PRIMARY
PUBCHEM
5271944
Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025
PRIMARY
CAS
125802-59-7
Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID00925289
Created by admin on Mon Mar 31 23:23:04 GMT 2025 , Edited by admin on Mon Mar 31 23:23:04 GMT 2025
PRIMARY