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Details

Stereochemistry ACHIRAL
Molecular Formula C15H24N4OS2
Molecular Weight 340.507
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-OCTYLTHIO-6-THIOTHEOPHYLLINE

SMILES

CCCCCCCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=S

InChI

InChIKey=XNSPJKAHKOGEEA-UHFFFAOYSA-N
InChI=1S/C15H24N4OS2/c1-4-5-6-7-8-9-10-22-14-16-11-12(17-14)18(2)15(20)19(3)13(11)21/h4-10H2,1-3H3,(H,16,17)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
8-OCTYLTHIO-6-THIOTHEOPHYLLINE
Common Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(OCTYLTHIO)-6-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-(OCTYLTHIO)-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-OCTYLTHIO-6-THIO-
Systematic Name English
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(OCTYLTHIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
NSC-95912
Code English
Code System Code Type Description
EPA CompTox
DTXSID80197346
Created by admin on Sat Dec 16 12:36:18 GMT 2023 , Edited by admin on Sat Dec 16 12:36:18 GMT 2023
PRIMARY
FDA UNII
1KT1N7E3ND
Created by admin on Sat Dec 16 12:36:18 GMT 2023 , Edited by admin on Sat Dec 16 12:36:18 GMT 2023
PRIMARY
CAS
4791-40-6
Created by admin on Sat Dec 16 12:36:18 GMT 2023 , Edited by admin on Sat Dec 16 12:36:18 GMT 2023
PRIMARY
NSC
95912
Created by admin on Sat Dec 16 12:36:18 GMT 2023 , Edited by admin on Sat Dec 16 12:36:18 GMT 2023
PRIMARY
PUBCHEM
3034538
Created by admin on Sat Dec 16 12:36:18 GMT 2023 , Edited by admin on Sat Dec 16 12:36:18 GMT 2023
PRIMARY
NIH
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