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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14IN5O
Molecular Weight 395.1983
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-IODO-9-((2-METHOXYPHENYL)METHYL)-N-METHYL-9H-PURIN-6-AMINE

SMILES

CNC1=NC(I)=NC2=C1N=CN2CC3=CC=CC=C3OC

InChI

InChIKey=ZVYTYSPUDKDXTF-UHFFFAOYSA-N
InChI=1S/C14H14IN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-5-3-4-6-10(9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19)

HIDE SMILES / InChI

Molecular Formula C14H14IN5O
Molecular Weight 395.1983
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 21:49:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:49:23 GMT 2025
Record UNII
H49N3C9D5N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-IODO-9-((2-METHOXYPHENYL)METHYL)-N-METHYL-9H-PURIN-6-AMINE
Systematic Name English
NCS-706
Preferred Name English
9H-PURIN-6-AMINE, 2-IODO-9-((2-METHOXYPHENYL)METHYL)-N-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
H49N3C9D5N
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
CAS
396653-34-2
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID701184569
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY
PUBCHEM
10385995
Created by admin on Mon Mar 31 21:49:23 GMT 2025 , Edited by admin on Mon Mar 31 21:49:23 GMT 2025
PRIMARY