8-(HEXYLTHIO)-2-THIO-THEOPHYLLINE

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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)-2-THIO-THEOPHYLLINE

Structure Search

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

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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

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SUBSTANCE RECORD


					DU2CV9J9CT

8-(HEXYLTHIO)-2-THIO-THEOPHYLLINE