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Details

Stereochemistry ACHIRAL
Molecular Formula C16H26N4OS2
Molecular Weight 354.534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=S

InChI

InChIKey=SXFSVWKNNBMDFO-UHFFFAOYSA-N
InChI=1S/C16H26N4OS2/c1-4-5-6-7-8-9-10-11-23-15-17-12-13(18-15)19(2)16(21)20(3)14(12)22/h4-11H2,1-3H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C16H26N4OS2
Molecular Weight 354.534
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 Tue Apr 01 19:56:42 GMT 2025
Edited
by admin
on Tue Apr 01 19:56:42 GMT 2025
Record UNII
249C9W9PWQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-95919
Preferred Name English
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(NONYLTHIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(NONYLTHIO)-6-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-(NONYLTHIO)-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-NONYLTHIO-6-THIO-
Systematic Name English
Code System Code Type Description
PUBCHEM
3034539
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
CAS
4791-41-7
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
FDA UNII
249C9W9PWQ
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID40197347
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY
NSC
95919
Created by admin on Tue Apr 01 19:56:42 GMT 2025 , Edited by admin on Tue Apr 01 19:56:42 GMT 2025
PRIMARY