U.S. Department of Health & Human Services Divider Arrow 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

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