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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N4OS2
Molecular Weight 284.401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCSC1=NC2=C(N1)C(=O)N(C)C(=S)N2C

InChI

InChIKey=NAOMXTHKMDASIF-UHFFFAOYSA-N
InChI=1S/C11H16N4OS2/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(17)15(3)9(7)16/h4-6H2,1-3H3,(H,12,13)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
8-(BUTYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
THEOPHYLLINE, 8-(BUTYLTHIO)-2-THIO-
Systematic Name English
NSC-95884
Code English
6H-PURIN-6-ONE, 8-(BUTYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-BUTYLTHIO-2-THIO-
Systematic Name English
Code System Code Type Description
CAS
4989-74-6
Created by admin on Sat Dec 16 13:07:26 GMT 2023 , Edited by admin on Sat Dec 16 13:07:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID30964464
Created by admin on Sat Dec 16 13:07:26 GMT 2023 , Edited by admin on Sat Dec 16 13:07:26 GMT 2023
PRIMARY
PUBCHEM
96973
Created by admin on Sat Dec 16 13:07:26 GMT 2023 , Edited by admin on Sat Dec 16 13:07:26 GMT 2023
PRIMARY
FDA UNII
Z71R3TI0Q2
Created by admin on Sat Dec 16 13:07:26 GMT 2023 , Edited by admin on Sat Dec 16 13:07:26 GMT 2023
PRIMARY
NSC
95884
Created by admin on Sat Dec 16 13:07:26 GMT 2023 , Edited by admin on Sat Dec 16 13:07:26 GMT 2023
PRIMARY
NIH
NCATS
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