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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 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-METHYLPROPYL)THIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

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

InChI

InChIKey=FQWJZYANKIABOI-UHFFFAOYSA-N
InChI=1S/C11H16N4OS2/c1-6(2)5-18-10-12-7-8(13-10)14(3)11(16)15(4)9(7)17/h6H,5H2,1-4H3,(H,12,13)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-METHYLPROPYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-(ISOBUTYLTHIO)-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-ISOBUTYLTHIO-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-METHYLPROPYL)THIO)-6-THIOXO-
Systematic Name English
NSC-95885
Code English
Code System Code Type Description
EPA CompTox
DTXSID60215239
Created by admin on Sat Dec 16 12:47:51 GMT 2023 , Edited by admin on Sat Dec 16 12:47:51 GMT 2023
PRIMARY
PUBCHEM
3034532
Created by admin on Sat Dec 16 12:47:51 GMT 2023 , Edited by admin on Sat Dec 16 12:47:51 GMT 2023
PRIMARY
NSC
95885
Created by admin on Sat Dec 16 12:47:51 GMT 2023 , Edited by admin on Sat Dec 16 12:47:51 GMT 2023
PRIMARY
FDA UNII
XCH3XZ312V
Created by admin on Sat Dec 16 12:47:51 GMT 2023 , Edited by admin on Sat Dec 16 12:47:51 GMT 2023
PRIMARY
CAS
6493-41-0
Created by admin on Sat Dec 16 12:47:51 GMT 2023 , Edited by admin on Sat Dec 16 12:47:51 GMT 2023
PRIMARY
NIH
NCATS
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