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Details

Stereochemistry ACHIRAL
Molecular Formula C17H28N4OS2
Molecular Weight 368.56
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCCSC1=NC2=C(N1)C(=S)N(C)C(=O)N2C

InChI

InChIKey=VXKIKIXTSOHTIX-UHFFFAOYSA-N
InChI=1S/C17H28N4OS2/c1-4-5-6-7-8-9-10-11-12-24-16-18-13-14(19-16)20(2)17(22)21(3)15(13)23/h4-12H2,1-3H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C17H28N4OS2
Molecular Weight 368.56
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 13:06:33 GMT 2023
Edited
by admin
on Sat Dec 16 13:06:33 GMT 2023
Record UNII
3162MDW97N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(DECYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-DECYLTHIO-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-(DECYLTHIO)-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 8-(DECYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-
Systematic Name English
NSC-95922
Code English
Code System Code Type Description
PUBCHEM
3037953
Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023
PRIMARY
FDA UNII
3162MDW97N
Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023
PRIMARY
NSC
95922
Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID80963967
Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023
PRIMARY
CAS
4791-42-8
Created by admin on Sat Dec 16 13:06:33 GMT 2023 , Edited by admin on Sat Dec 16 13:06:33 GMT 2023
PRIMARY