8-MERCAPTO-6-THIO-THEOPHYLLINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8N4OS2
Molecular Weight	228.295
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-MERCAPTO-6-THIO-THEOPHYLLINE

Structure Search

SMILES

CN1C2=C(NC(=S)N2)C(=S)N(C)C1=O

InChI

InChIKey=WBYICMFPFPLOFJ-UHFFFAOYSA-N

InChI=1S/C7H8N4OS2/c1-10-4-3(8-6(14)9-4)5(13)11(2)7(10)12/h1-2H3,(H2,8,9,14)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-MERCAPTO-6-THIO-THEOPHYLLINE

Systematic Name

English

2H-PURIN-2-ONE, 1,3,6,7,8,9-HEXAHYDRO-1,3-DIMETHYL-6,8-DITHIOXO-

Systematic Name

English

URIC ACID, 1,3-DIMETHYL-6,8-DITHIO-

Systematic Name

English

1,3,6,7,8,9-HEXAHYDRO-1,3-DIMETHYL-6,8-DITHIOXO-2H-PURIN-2-ONE

Systematic Name

English

NSC-95853

Code

English

Code System Code Type Description

FDA UNII

CA20YEF6XI

Created by admin on Sat Dec 16 13:05:36 GMT 2023 , Edited by admin on Sat Dec 16 13:05:36 GMT 2023

PRIMARY

CAS

2006-51-1

Created by admin on Sat Dec 16 13:05:36 GMT 2023 , Edited by admin on Sat Dec 16 13:05:36 GMT 2023

PRIMARY

PUBCHEM

3034523

Created by admin on Sat Dec 16 13:05:36 GMT 2023 , Edited by admin on Sat Dec 16 13:05:36 GMT 2023

PRIMARY

EPA CompTox

DTXSID30173872

Created by admin on Sat Dec 16 13:05:36 GMT 2023 , Edited by admin on Sat Dec 16 13:05:36 GMT 2023

PRIMARY

NSC

95853

Created by admin on Sat Dec 16 13:05:36 GMT 2023 , Edited by admin on Sat Dec 16 13:05:36 GMT 2023

PRIMARY

SUBSTANCE RECORD


					CA20YEF6XI

8-MERCAPTO-6-THIO-THEOPHYLLINE