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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N4S3
Molecular Weight 328.52
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(HEXYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DITHIONE

SMILES

CCCCCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=S

InChI

InChIKey=RXZYZHOMSDJHTF-UHFFFAOYSA-N
InChI=1S/C13H20N4S3/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(19)17(3)11(9)18/h4-8H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H20N4S3
Molecular Weight 328.52
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 12:38:56 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:56 GMT 2023
Record UNII
WXI8VGV8GD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(HEXYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DITHIONE
Systematic Name English
1H-PURINE-2,6-DITHIONE, 8-(HEXYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
THEOPHYLLINE, 2,6-DITHIO-8-HEXYLTHIO-
Common Name English
NSC-97990
Code English
THEOPHYLLINE, 8-(HEXYLTHIO)DITHIO-
Systematic Name English
Code System Code Type Description
PUBCHEM
3034544
Created by admin on Sat Dec 16 12:38:56 GMT 2023 , Edited by admin on Sat Dec 16 12:38:56 GMT 2023
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CAS
6466-22-4
Created by admin on Sat Dec 16 12:38:56 GMT 2023 , Edited by admin on Sat Dec 16 12:38:56 GMT 2023
PRIMARY
NSC
97990
Created by admin on Sat Dec 16 12:38:56 GMT 2023 , Edited by admin on Sat Dec 16 12:38:56 GMT 2023
PRIMARY
FDA UNII
WXI8VGV8GD
Created by admin on Sat Dec 16 12:38:56 GMT 2023 , Edited by admin on Sat Dec 16 12:38:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID30214931
Created by admin on Sat Dec 16 12:38:56 GMT 2023 , Edited by admin on Sat Dec 16 12:38:56 GMT 2023
PRIMARY