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Details

Stereochemistry ACHIRAL
Molecular Formula C19H32N4OS2
Molecular Weight 396.614
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCCCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=O

InChI

InChIKey=PEAOVXMJAWPZGN-UHFFFAOYSA-N
InChI=1S/C19H32N4OS2/c1-4-5-6-7-8-9-10-11-12-13-14-26-18-20-15-16(21-18)22(2)19(25)23(3)17(15)24/h4-14H2,1-3H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C19H32N4OS2
Molecular Weight 396.614
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 13:10:30 GMT 2023
Edited
by admin
on Sat Dec 16 13:10:30 GMT 2023
Record UNII
NDU4NEG8F2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(DODECYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
6H-PURIN-6-ONE, 8-(DODECYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-
Systematic Name English
NSC-97996
Code English
THEOPHYLLINE, 8-(DODECYLTHIO)-2-THIO-
Systematic Name English
THEOPHYLLINE, 8-DODECYLTHIO-2-THIO-
Systematic Name English
Code System Code Type Description
CAS
6466-12-2
Created by admin on Sat Dec 16 13:10:30 GMT 2023 , Edited by admin on Sat Dec 16 13:10:30 GMT 2023
PRIMARY
PUBCHEM
97058
Created by admin on Sat Dec 16 13:10:30 GMT 2023 , Edited by admin on Sat Dec 16 13:10:30 GMT 2023
PRIMARY
FDA UNII
NDU4NEG8F2
Created by admin on Sat Dec 16 13:10:30 GMT 2023 , Edited by admin on Sat Dec 16 13:10:30 GMT 2023
PRIMARY
NSC
97996
Created by admin on Sat Dec 16 13:10:30 GMT 2023 , Edited by admin on Sat Dec 16 13:10:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80214926
Created by admin on Sat Dec 16 13:10:30 GMT 2023 , Edited by admin on Sat Dec 16 13:10:30 GMT 2023
PRIMARY