U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H28N4O2S
Molecular Weight 352.495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=SXZNHFFRABVGJZ-UHFFFAOYSA-N
InChI=1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-12-24-16-18-14-13(19(16)2)15(22)21(4)17(23)20(14)3/h5-12H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(NONYLTHIO)-CAFFEINE
Systematic Name English
NSC-81488
Code English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-8-(NONYLTHIO)-
Systematic Name English
Code System Code Type Description
NSC
81488
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
FDA UNII
LQ3S9Q19XC
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
CAS
73747-38-3
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID70224074
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY
PUBCHEM
52359
Created by admin on Sat Dec 16 12:43:22 GMT 2023 , Edited by admin on Sat Dec 16 12:43:22 GMT 2023
PRIMARY