U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N4OS2
Molecular Weight 312.454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=S

InChI

InChIKey=DPTNPVOBXQRVHR-UHFFFAOYSA-N
InChI=1S/C13H20N4OS2/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(18)17(3)11(9)19/h4-8H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-HEXYLTHIO-6-THIOTHEOPHYLLINE
Systematic Name English
2H-PURIN-2-ONE, 8-(HEXYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-(HEXYLTHIO)-6-THIO-
Official Name English
8-(HEXYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-HEXYLTHIO-6-THIO-
Systematic Name English
NSC-95902
Code English
Code System Code Type Description
NSC
95902
Created by admin on Sat Dec 16 12:55:11 GMT 2023 , Edited by admin on Sat Dec 16 12:55:11 GMT 2023
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CAS
4791-38-2
Created by admin on Sat Dec 16 12:55:11 GMT 2023 , Edited by admin on Sat Dec 16 12:55:11 GMT 2023
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FDA UNII
DQ0WBX071F
Created by admin on Sat Dec 16 12:55:11 GMT 2023 , Edited by admin on Sat Dec 16 12:55:11 GMT 2023
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EPA CompTox
DTXSID60197344
Created by admin on Sat Dec 16 12:55:11 GMT 2023 , Edited by admin on Sat Dec 16 12:55:11 GMT 2023
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PUBCHEM
3034536
Created by admin on Sat Dec 16 12:55:11 GMT 2023 , Edited by admin on Sat Dec 16 12:55:11 GMT 2023
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