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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4OS2
Molecular Weight 270.374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=O

InChI

InChIKey=CSHMGSIYEGLDTE-UHFFFAOYSA-N
InChI=1S/C10H14N4OS2/c1-4-5-17-9-11-6-7(12-9)13(2)10(16)14(3)8(6)15/h4-5H2,1-3H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PROPYLTHIO)-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
THEOPHYLLINE, 8-PROPYLTHIO-2-THIO-
Systematic Name English
THEOPHYLLINE, 8-(PROPYLTHIO)-2-THIO-
Systematic Name English
NSC-95869
Code English
6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PROPYLTHIO)-2-THIOXO-
Systematic Name English
Code System Code Type Description
CAS
4791-36-0
Created by admin on Sat Dec 16 12:43:39 GMT 2023 , Edited by admin on Sat Dec 16 12:43:39 GMT 2023
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PUBCHEM
96970
Created by admin on Sat Dec 16 12:43:39 GMT 2023 , Edited by admin on Sat Dec 16 12:43:39 GMT 2023
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FDA UNII
6EA52R7NZL
Created by admin on Sat Dec 16 12:43:39 GMT 2023 , Edited by admin on Sat Dec 16 12:43:39 GMT 2023
PRIMARY
NSC
95869
Created by admin on Sat Dec 16 12:43:39 GMT 2023 , Edited by admin on Sat Dec 16 12:43:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID40197342
Created by admin on Sat Dec 16 12:43:39 GMT 2023 , Edited by admin on Sat Dec 16 12:43:39 GMT 2023
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