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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N4O2S2
Molecular Weight 284.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-OXOPROPYL)THIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

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

InChI

InChIKey=BBXFGEBSYQIPGF-UHFFFAOYSA-N
InChI=1S/C10H12N4O2S2/c1-5(15)4-18-9-11-6-7(12-9)13(2)10(16)14(3)8(6)17/h4H2,1-3H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-99685
Preferred Name English
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-OXOPROPYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-OXOPROPYL)THIO)-6-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-(ACETONYLTHIO)-6-THIO-
Systematic Name English
Code System Code Type Description
FDA UNII
67Q5VZB18M
Created by admin on Tue Apr 01 19:34:10 GMT 2025 , Edited by admin on Tue Apr 01 19:34:10 GMT 2025
PRIMARY
CAS
6466-01-9
Created by admin on Tue Apr 01 19:34:10 GMT 2025 , Edited by admin on Tue Apr 01 19:34:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID00214923
Created by admin on Tue Apr 01 19:34:10 GMT 2025 , Edited by admin on Tue Apr 01 19:34:10 GMT 2025
PRIMARY
NSC
99685
Created by admin on Tue Apr 01 19:34:10 GMT 2025 , Edited by admin on Tue Apr 01 19:34:10 GMT 2025
PRIMARY
PUBCHEM
3034556
Created by admin on Tue Apr 01 19:34:10 GMT 2025 , Edited by admin on Tue Apr 01 19:34:10 GMT 2025
PRIMARY
NIH
NCATS
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