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Details

Stereochemistry ACHIRAL
Molecular Formula C18H30N4OS2
Molecular Weight 382.587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=O

InChI

InChIKey=AMIHARDZZIHHLH-UHFFFAOYSA-N
InChI=1S/C18H30N4OS2/c1-4-5-6-7-8-9-10-11-12-13-25-17-19-14-15(20-17)21(2)18(24)22(3)16(14)23/h4-13H2,1-3H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C18H30N4OS2
Molecular Weight 382.587
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 13:08:17 GMT 2023
Edited
by admin
on Sat Dec 16 13:08:17 GMT 2023
Record UNII
I28RYF7SID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-8-(UNDECYLTHIO)-6H-PURIN-6-ONE
Systematic Name English
THEOPHYLLINE, 2-THIO-8-UNDECYLTHIO-
Common Name English
THEOPHYLLINE, 2-THIO-8-(UNDECYLTHIO)-
Systematic Name English
NSC-97995
Code English
6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-8-(UNDECYLTHIO)-
Systematic Name English
Code System Code Type Description
NSC
97995
Created by admin on Sat Dec 16 13:08:17 GMT 2023 , Edited by admin on Sat Dec 16 13:08:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID20214925
Created by admin on Sat Dec 16 13:08:17 GMT 2023 , Edited by admin on Sat Dec 16 13:08:17 GMT 2023
PRIMARY
CAS
6466-11-1
Created by admin on Sat Dec 16 13:08:17 GMT 2023 , Edited by admin on Sat Dec 16 13:08:17 GMT 2023
PRIMARY
FDA UNII
I28RYF7SID
Created by admin on Sat Dec 16 13:08:17 GMT 2023 , Edited by admin on Sat Dec 16 13:08:17 GMT 2023
PRIMARY
PUBCHEM
97057
Created by admin on Sat Dec 16 13:08:17 GMT 2023 , Edited by admin on Sat Dec 16 13:08:17 GMT 2023
PRIMARY