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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15ClN6
Molecular Weight 350.805
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-Benzenediamine, N-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-

SMILES

NC1=CC=C(NC2=NC(Cl)=NC3=C2N=CN3CC4=CC=CC=C4)C=C1

InChI

InChIKey=LTWAAWMGZAVRBE-UHFFFAOYSA-N
InChI=1S/C18H15ClN6/c19-18-23-16(22-14-8-6-13(20)7-9-14)15-17(24-18)25(11-21-15)10-12-4-2-1-3-5-12/h1-9,11H,10,20H2,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C18H15ClN6
Molecular Weight 350.805
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 23:21:45 GMT 2025
Edited
by admin
on Mon Mar 31 23:21:45 GMT 2025
Record UNII
9AA3HAW75V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-Benzenediamine, N1-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-
Preferred Name English
1,4-Benzenediamine, N-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-
Systematic Name English
N1-[2-Chloro-9-(phenylmethyl)-9H-purin-6-yl]-1,4-benzenediamine
Systematic Name English
Code System Code Type Description
FDA UNII
9AA3HAW75V
Created by admin on Mon Mar 31 23:21:45 GMT 2025 , Edited by admin on Mon Mar 31 23:21:45 GMT 2025
PRIMARY
PUBCHEM
5271940
Created by admin on Mon Mar 31 23:21:45 GMT 2025 , Edited by admin on Mon Mar 31 23:21:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID60925285
Created by admin on Mon Mar 31 23:21:45 GMT 2025 , Edited by admin on Mon Mar 31 23:21:45 GMT 2025
PRIMARY
CAS
125802-55-3
Created by admin on Mon Mar 31 23:21:45 GMT 2025 , Edited by admin on Mon Mar 31 23:21:45 GMT 2025
PRIMARY