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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4OS2
Molecular Weight 256.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(ETHYLTHIO)-2-THIOTHEOPHYLLINE

SMILES

CCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=O

InChI

InChIKey=FJJMWVUYANHDBE-UHFFFAOYSA-N
InChI=1S/C9H12N4OS2/c1-4-16-8-10-5-6(11-8)12(2)9(15)13(3)7(5)14/h4H2,1-3H3,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(ETHYLTHIO)-2-THIOTHEOPHYLLINE
Systematic Name English
NSC-95863
Code English
6H-PURIN-6-ONE, 8-(ETHYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-ETHYLTHIO-2-THIO-
Systematic Name English
8-(ETHYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
182W3XS9RZ
Created by admin on Sat Dec 16 12:40:57 GMT 2023 , Edited by admin on Sat Dec 16 12:40:57 GMT 2023
PRIMARY
CAS
4989-72-4
Created by admin on Sat Dec 16 12:40:57 GMT 2023 , Edited by admin on Sat Dec 16 12:40:57 GMT 2023
PRIMARY
NSC
95863
Created by admin on Sat Dec 16 12:40:57 GMT 2023 , Edited by admin on Sat Dec 16 12:40:57 GMT 2023
PRIMARY
PUBCHEM
96967
Created by admin on Sat Dec 16 12:40:57 GMT 2023 , Edited by admin on Sat Dec 16 12:40:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID40198137
Created by admin on Sat Dec 16 12:40:57 GMT 2023 , Edited by admin on Sat Dec 16 12:40:57 GMT 2023
PRIMARY