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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N4S
Molecular Weight 270.353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(((3,4-DIMETHYLPHENYL)METHYL)THIO)-9H-PURINE

SMILES

CC1=CC=C(CSC2=NC=NC3=C2N=CN3)C=C1C

InChI

InChIKey=WEBGUJBZGMNFSM-UHFFFAOYSA-N
InChI=1S/C14H14N4S/c1-9-3-4-11(5-10(9)2)6-19-14-12-13(16-7-15-12)17-8-18-14/h3-5,7-8H,6H2,1-2H3,(H,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C14H14N4S
Molecular Weight 270.353
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 12:56:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:13 GMT 2023
Record UNII
TPG0Q8W41X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(((3,4-DIMETHYLPHENYL)METHYL)THIO)-9H-PURINE
Systematic Name English
NSC-48713
Code English
9H-PURINE, 6-(((3,4-DIMETHYLPHENYL)METHYL)THIO)-
Systematic Name English
1H-PURINE, 6-(((3,4-DIMETHYLPHENYL)METHYL)THIO)-
Systematic Name English
PURINE, 6-((3,4-DIMETHYLBENZYL)THIO)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10231782
Created by admin on Sat Dec 16 12:56:13 GMT 2023 , Edited by admin on Sat Dec 16 12:56:13 GMT 2023
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FDA UNII
TPG0Q8W41X
Created by admin on Sat Dec 16 12:56:13 GMT 2023 , Edited by admin on Sat Dec 16 12:56:13 GMT 2023
PRIMARY
NSC
48713
Created by admin on Sat Dec 16 12:56:13 GMT 2023 , Edited by admin on Sat Dec 16 12:56:13 GMT 2023
PRIMARY
PUBCHEM
96025
Created by admin on Sat Dec 16 12:56:13 GMT 2023 , Edited by admin on Sat Dec 16 12:56:13 GMT 2023
PRIMARY
CAS
82499-09-0
Created by admin on Sat Dec 16 12:56:13 GMT 2023 , Edited by admin on Sat Dec 16 12:56:13 GMT 2023
PRIMARY