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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)-2-THIO-THEOPHYLLINE

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(HEXYLTHIO)-2-THIO-THEOPHYLLINE
Systematic Name English
NSC-95901
Code English
6H-PURIN-6-ONE, 8-(HEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-HEXYLTHIO-2-THIO-
Systematic Name English
8-(HEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
DU2CV9J9CT
Created by admin on Sat Dec 16 13:05:08 GMT 2023 , Edited by admin on Sat Dec 16 13:05:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID00197585
Created by admin on Sat Dec 16 13:05:08 GMT 2023 , Edited by admin on Sat Dec 16 13:05:08 GMT 2023
PRIMARY
NSC
95901
Created by admin on Sat Dec 16 13:05:08 GMT 2023 , Edited by admin on Sat Dec 16 13:05:08 GMT 2023
PRIMARY
PUBCHEM
96981
Created by admin on Sat Dec 16 13:05:08 GMT 2023 , Edited by admin on Sat Dec 16 13:05:08 GMT 2023
PRIMARY
CAS
4869-71-0
Created by admin on Sat Dec 16 13:05:08 GMT 2023 , Edited by admin on Sat Dec 16 13:05:08 GMT 2023
PRIMARY