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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N4OS2
Molecular Weight 310.438
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CN1C2=C(N=C(N2)SC3CCCCC3)C(=S)N(C)C1=O

InChI

InChIKey=OZGPMRFSNJYMGJ-UHFFFAOYSA-N
InChI=1S/C13H18N4OS2/c1-16-10-9(11(19)17(2)13(16)18)14-12(15-10)20-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
8-(CYCLOHEXYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
NSC-95898
Preferred Name English
THEOPHYLLINE, 8-(CYCLOHEXYLTHIO)-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-CYCLOHEXYLTHIO-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 8-(CYCLOHEXYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-
Systematic Name English
Code System Code Type Description
NSC
95898
Created by admin on Tue Apr 01 20:14:06 GMT 2025 , Edited by admin on Tue Apr 01 20:14:06 GMT 2025
PRIMARY
FDA UNII
SYJ83Z0DLH
Created by admin on Tue Apr 01 20:14:06 GMT 2025 , Edited by admin on Tue Apr 01 20:14:06 GMT 2025
PRIMARY
CAS
6493-42-1
Created by admin on Tue Apr 01 20:14:06 GMT 2025 , Edited by admin on Tue Apr 01 20:14:06 GMT 2025
PRIMARY
PUBCHEM
3034535
Created by admin on Tue Apr 01 20:14:06 GMT 2025 , Edited by admin on Tue Apr 01 20:14:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID70215240
Created by admin on Tue Apr 01 20:14:06 GMT 2025 , Edited by admin on Tue Apr 01 20:14:06 GMT 2025
PRIMARY
NIH
NCATS
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