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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17ClN6O
Molecular Weight 392.842
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-((2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)AMINO)PHENYL)ACETAMIDE

SMILES

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

InChI

InChIKey=ANERCZQBVFWRPO-UHFFFAOYSA-N
InChI=1S/C20H17ClN6O/c1-13(28)23-15-7-9-16(10-8-15)24-18-17-19(26-20(21)25-18)27(12-22-17)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,28)(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C20H17ClN6O
Molecular Weight 392.842
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 10:41:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:41:18 GMT 2023
Record UNII
Z69P78X3N5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-((2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)AMINO)PHENYL)ACETAMIDE
Systematic Name English
ACETAMIDE, N-(4-((2-CHLORO-9-(PHENYLMETHYL)-9H-PURIN-6-YL)AMINO)PHENYL)-
Systematic Name English
Code System Code Type Description
CHEMBL
29916
Created by admin on Sat Dec 16 10:41:18 GMT 2023 , Edited by admin on Sat Dec 16 10:41:18 GMT 2023
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CAS
125802-54-2
Created by admin on Sat Dec 16 10:41:18 GMT 2023 , Edited by admin on Sat Dec 16 10:41:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID00925284
Created by admin on Sat Dec 16 10:41:18 GMT 2023 , Edited by admin on Sat Dec 16 10:41:18 GMT 2023
PRIMARY
FDA UNII
Z69P78X3N5
Created by admin on Sat Dec 16 10:41:18 GMT 2023 , Edited by admin on Sat Dec 16 10:41:18 GMT 2023
PRIMARY
PUBCHEM
5271939
Created by admin on Sat Dec 16 10:41:18 GMT 2023 , Edited by admin on Sat Dec 16 10:41:18 GMT 2023
PRIMARY