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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22N4OS2
Molecular Weight 326.481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-HEPTYLTHIO-6-THIOTHEOPHYLLINE

SMILES

CCCCCCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=S

InChI

InChIKey=WSKPFQOBJBXMIA-UHFFFAOYSA-N
InChI=1S/C14H22N4OS2/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(19)18(3)12(10)20/h4-9H2,1-3H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-95907
Preferred Name English
8-HEPTYLTHIO-6-THIOTHEOPHYLLINE
Systematic Name English
THEOPHYLLINE, 8-HEPTYLTHIO-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-(HEPTYLTHIO)-6-THIO-
Systematic Name English
8-(HEPTYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
2H-PURIN-2-ONE, 8-(HEPTYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-
Systematic Name English
Code System Code Type Description
CAS
4791-39-3
Created by admin on Tue Apr 01 20:02:38 GMT 2025 , Edited by admin on Tue Apr 01 20:02:38 GMT 2025
PRIMARY
PUBCHEM
3034537
Created by admin on Tue Apr 01 20:02:38 GMT 2025 , Edited by admin on Tue Apr 01 20:02:38 GMT 2025
PRIMARY
FDA UNII
SHD1D37B0L
Created by admin on Tue Apr 01 20:02:38 GMT 2025 , Edited by admin on Tue Apr 01 20:02:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID20197345
Created by admin on Tue Apr 01 20:02:38 GMT 2025 , Edited by admin on Tue Apr 01 20:02:38 GMT 2025
PRIMARY
NSC
95907
Created by admin on Tue Apr 01 20:02:38 GMT 2025 , Edited by admin on Tue Apr 01 20:02:38 GMT 2025
PRIMARY
NIH
NCATS
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