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Details

Stereochemistry ACHIRAL
Molecular Formula C18H30N4O2S
Molecular Weight 366.521
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(DECYLTHIO)-CAFFEINE

SMILES

CCCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=BVEBFAGNKHKOOC-UHFFFAOYSA-N
InChI=1S/C18H30N4O2S/c1-5-6-7-8-9-10-11-12-13-25-17-19-15-14(20(17)2)16(23)22(4)18(24)21(15)3/h5-13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C18H30N4O2S
Molecular Weight 366.521
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 12:43:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:27 GMT 2023
Record UNII
8EI2N05P9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(DECYLTHIO)-CAFFEINE
Systematic Name English
1H-PURINE-2,6-DIONE, 8-(DECYLTHIO)-3,7-DIHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
CAFFEINE, 8-(DECYLTHIO)-
Systematic Name English
NSC-81489
Code English
8-(DECYLTHIO)-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
33183
Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023
PRIMARY
NSC
81489
Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023
PRIMARY
CAS
25837-26-7
Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID80180490
Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023
PRIMARY
FDA UNII
8EI2N05P9W
Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023
PRIMARY