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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O2S
Molecular Weight 240.282
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-((METHYLTHIO)METHYL)THEOPHYLLINE

SMILES

CSCN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=KYBFGOSYGIEUHP-UHFFFAOYSA-N
InChI=1S/C9H12N4O2S/c1-11-7-6(8(14)12(2)9(11)15)13(4-10-7)5-16-3/h4H,5H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
7-((METHYLTHIO)METHYL)THEOPHYLLINE
Systematic Name English
3,7-DIHYDRO-1,3-DIMETHYL-7-((METHYLTHIO)METHYL)-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-((METHYLTHIO)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
24977669
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
CAS
10576-52-0
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
FDA UNII
G7RGL4R6EU
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
NIH
NCATS
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