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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N4OS2
Molecular Weight 242.321
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-(METHYLTHIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

CSC1=NC2=C(N1)N(C)C(=O)N(C)C2=S

InChI

InChIKey=KBRBLIPQXNCIFS-UHFFFAOYSA-N
InChI=1S/C8H10N4OS2/c1-11-5-4(9-7(10-5)15-3)6(14)12(2)8(11)13/h1-3H3,(H,9,10)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(METHYLTHIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-METHYLTHIO-6-THIO-
Systematic Name English
NSC-95857
Code English
THEOPHYLLINE, 8-(METHYLTHIO)-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(METHYLTHIO)-6-THIOXO-
Systematic Name English
Code System Code Type Description
FDA UNII
29H5UXZ2VK
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
NSC
95857
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID20197340
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
CAS
4791-34-8
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
PUBCHEM
3034525
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
NIH
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