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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)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE

SMILES

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

InChI

InChIKey=XXIAMSSXXPCLDP-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(24)23(3)17(15)25/h4-14H2,1-3H3,(H,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(DODECYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-(DODECYLTHIO)-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-DODECYLTHIO-6-THIO-
Systematic Name English
NSC-95928
Code English
2H-PURIN-2-ONE, 8-(DODECYLTHIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-
Systematic Name English
Code System Code Type Description
FDA UNII
UVJ0LX2IV5
Created by admin on Sat Dec 16 12:39:56 GMT 2023 , Edited by admin on Sat Dec 16 12:39:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID40215237
Created by admin on Sat Dec 16 12:39:56 GMT 2023 , Edited by admin on Sat Dec 16 12:39:56 GMT 2023
PRIMARY
NSC
95928
Created by admin on Sat Dec 16 12:39:56 GMT 2023 , Edited by admin on Sat Dec 16 12:39:56 GMT 2023
PRIMARY
CAS
6493-37-4
Created by admin on Sat Dec 16 12:39:56 GMT 2023 , Edited by admin on Sat Dec 16 12:39:56 GMT 2023
PRIMARY
PUBCHEM
3034541
Created by admin on Sat Dec 16 12:39:56 GMT 2023 , Edited by admin on Sat Dec 16 12:39:56 GMT 2023
PRIMARY