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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16N6O3
Molecular Weight 316.3152
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(3,4,5-Trimethoxyphenyl)-9H-purine-2,6-diamine

SMILES

COC1=CC(OC)=C(OC)C=C1C2=NC3=C(N2)N=C(N)N=C3N

InChI

InChIKey=RPTOJQVHIPKIRX-UHFFFAOYSA-N
InChI=1S/C14H16N6O3/c1-21-7-5-9(23-3)8(22-2)4-6(7)12-17-10-11(15)18-14(16)20-13(10)19-12/h4-5H,1-3H3,(H5,15,16,17,18,19,20)

HIDE SMILES / InChI

Molecular Formula C14H16N6O3
Molecular Weight 316.3152
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 Wed Apr 02 06:49:25 GMT 2025
Edited
by admin
on Wed Apr 02 06:49:25 GMT 2025
Record UNII
NFS56PMY3H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(3,4,5-Trimethoxyphenyl)-9H-purine-2,6-diamine
Systematic Name English
8-(2,4,5-trimethoxyphenyl)-3H-purine-2,6-diamine
Preferred Name English
9H-Purine-2,6-diamine, 8-(3,4,5-trimethoxyphenyl)-
Systematic Name English
Code System Code Type Description
CAS
194613-10-0
Created by admin on Wed Apr 02 06:49:25 GMT 2025 , Edited by admin on Wed Apr 02 06:49:25 GMT 2025
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FDA UNII
NFS56PMY3H
Created by admin on Wed Apr 02 06:49:25 GMT 2025 , Edited by admin on Wed Apr 02 06:49:25 GMT 2025
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EPA CompTox
DTXSID40173101
Created by admin on Wed Apr 02 06:49:25 GMT 2025 , Edited by admin on Wed Apr 02 06:49:25 GMT 2025
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PUBCHEM
473569
Created by admin on Wed Apr 02 06:49:25 GMT 2025 , Edited by admin on Wed Apr 02 06:49:25 GMT 2025
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