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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 1,3-Benzenediamine, N-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-

SMILES

NC1=CC(NC2=C3N=CN(CC4=CC=CC=C4)C3=NC(Cl)=N2)=CC=C1

InChI

InChIKey=ISCKRRPGGHHBNQ-UHFFFAOYSA-N
InChI=1S/C18H15ClN6/c19-18-23-16(22-14-8-4-7-13(20)9-14)15-17(24-18)25(11-21-15)10-12-5-2-1-3-6-12/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 Sat Dec 16 20:08:17 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:17 GMT 2023
Record UNII
L6Z79EV9NB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Benzenediamine, N-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-
Systematic Name English
1,3-Benzenediamine, N1-[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]-
Systematic Name English
N1-[2-Chloro-9-(phenylmethyl)-9H-purin-6-yl]-1,3-benzenediamine
Systematic Name English
Code System Code Type Description
CAS
125802-64-4
Created by admin on Sat Dec 16 20:08:17 GMT 2023 , Edited by admin on Sat Dec 16 20:08:17 GMT 2023
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EPA CompTox
DTXSID50925294
Created by admin on Sat Dec 16 20:08:17 GMT 2023 , Edited by admin on Sat Dec 16 20:08:17 GMT 2023
PRIMARY
FDA UNII
L6Z79EV9NB
Created by admin on Sat Dec 16 20:08:17 GMT 2023 , Edited by admin on Sat Dec 16 20:08:17 GMT 2023
PRIMARY
PUBCHEM
5271950
Created by admin on Sat Dec 16 20:08:17 GMT 2023 , Edited by admin on Sat Dec 16 20:08:17 GMT 2023
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