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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22N4OS2
Molecular Weight 326.481
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCSC1=NC2=C(N1)C(=O)N(C)C(=S)N2C

InChI

InChIKey=XWOZQLIODSDOOV-UHFFFAOYSA-N
InChI=1S/C14H22N4OS2/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C14H22N4OS2
Molecular Weight 326.481
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 13:15:21 GMT 2023
Edited
by admin
on Sat Dec 16 13:15:21 GMT 2023
Record UNII
CL48BPE2YN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(HEPTYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
NSC-95908
Code English
THEOPHYLLINE, 8-HEPTYLTHIO-2-THIO-
Systematic Name English
THEOPHYLLINE, 8-(HEPTYLTHIO)-2-THIO-
Systematic Name English
6H-PURIN-6-ONE, 8-(HEPTYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
96984
Created by admin on Sat Dec 16 13:15:21 GMT 2023 , Edited by admin on Sat Dec 16 13:15:21 GMT 2023
PRIMARY
NSC
95908
Created by admin on Sat Dec 16 13:15:21 GMT 2023 , Edited by admin on Sat Dec 16 13:15:21 GMT 2023
PRIMARY
CAS
4776-10-7
Created by admin on Sat Dec 16 13:15:21 GMT 2023 , Edited by admin on Sat Dec 16 13:15:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID00963929
Created by admin on Sat Dec 16 13:15:21 GMT 2023 , Edited by admin on Sat Dec 16 13:15:21 GMT 2023
PRIMARY
FDA UNII
CL48BPE2YN
Created by admin on Sat Dec 16 13:15:21 GMT 2023 , Edited by admin on Sat Dec 16 13:15:21 GMT 2023
PRIMARY