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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19ClN6
Molecular Weight 378.858
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N4-(2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)-N1,N1-DIMETHYL-1,4-BENZENEDIAMINE

SMILES

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

InChI

InChIKey=QWLDLPHCDZVZGO-UHFFFAOYSA-N
InChI=1S/C20H19ClN6/c1-26(2)16-10-8-15(9-11-16)23-18-17-19(25-20(21)24-18)27(13-22-17)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,24,25)

HIDE SMILES / InChI

Molecular Formula C20H19ClN6
Molecular Weight 378.858
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 10:37:25 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:25 GMT 2023
Record UNII
5AA4QC8AP2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N4-(2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)-N1,N1-DIMETHYL-1,4-BENZENEDIAMINE
Systematic Name English
1-N-(9-BENZYL-2-CHLOROPURIN-6-YL)-4-N,4-N-DIMETHYLBENZENE-1,4-DIAMINE
Systematic Name English
1,4-BENZENEDIAMINE, N4-(2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)-N1,N1-DIMETHYL-
Systematic Name English
1,4-BENZENEDIAMINE, N'-(2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)-N,N-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
125802-51-9
Created by admin on Sat Dec 16 10:37:25 GMT 2023 , Edited by admin on Sat Dec 16 10:37:25 GMT 2023
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EPA CompTox
DTXSID20925281
Created by admin on Sat Dec 16 10:37:25 GMT 2023 , Edited by admin on Sat Dec 16 10:37:25 GMT 2023
PRIMARY
PUBCHEM
5271936
Created by admin on Sat Dec 16 10:37:25 GMT 2023 , Edited by admin on Sat Dec 16 10:37:25 GMT 2023
PRIMARY
FDA UNII
5AA4QC8AP2
Created by admin on Sat Dec 16 10:37:25 GMT 2023 , Edited by admin on Sat Dec 16 10:37:25 GMT 2023
PRIMARY