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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)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C13H18N4OS2
Molecular Weight 310.438
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:37 GMT 2023
Record UNII
I71NWA18JB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(CYCLOHEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
NSC-95899
Code English
THEOPHYLLINE, 8-(CYCLOHEXYLTHIO)-2-THIO-
Systematic Name English
THEOPHYLLINE, 8-CYCLOHEXYLTHIO-2-THIO-
Systematic Name English
6H-PURIN-6-ONE, 8-(CYCLOHEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
96980
Created by admin on Sat Dec 16 12:43:37 GMT 2023 , Edited by admin on Sat Dec 16 12:43:37 GMT 2023
PRIMARY
CAS
6466-13-3
Created by admin on Sat Dec 16 12:43:37 GMT 2023 , Edited by admin on Sat Dec 16 12:43:37 GMT 2023
PRIMARY
NSC
95899
Created by admin on Sat Dec 16 12:43:37 GMT 2023 , Edited by admin on Sat Dec 16 12:43:37 GMT 2023
PRIMARY
FDA UNII
I71NWA18JB
Created by admin on Sat Dec 16 12:43:37 GMT 2023 , Edited by admin on Sat Dec 16 12:43:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID40214927
Created by admin on Sat Dec 16 12:43:37 GMT 2023 , Edited by admin on Sat Dec 16 12:43:37 GMT 2023
PRIMARY