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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N4O2S
Molecular Weight 296.388
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DIHYDRO-1,3,7-TRIMETHYL-8-((3-METHYLBUTYL)THIO)-1H-PURINE-2,6-DIONE

SMILES

CC(C)CCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=MGAOAMZOLCYPSY-UHFFFAOYSA-N
InChI=1S/C13H20N4O2S/c1-8(2)6-7-20-12-14-10-9(15(12)3)11(18)17(5)13(19)16(10)4/h8H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C13H20N4O2S
Molecular Weight 296.388
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 12:56:40 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:40 GMT 2023
Record UNII
PY5HW9Q5MV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-DIHYDRO-1,3,7-TRIMETHYL-8-((3-METHYLBUTYL)THIO)-1H-PURINE-2,6-DIONE
Systematic Name English
NSC-81486
Code English
CAFFEINE, 8-(ISOPENTYLTHIO)-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-8-((3-METHYLBUTYL)THIO)-
Systematic Name English
Code System Code Type Description
NSC
81486
Created by admin on Sat Dec 16 12:56:41 GMT 2023 , Edited by admin on Sat Dec 16 12:56:41 GMT 2023
PRIMARY
PUBCHEM
52356
Created by admin on Sat Dec 16 12:56:41 GMT 2023 , Edited by admin on Sat Dec 16 12:56:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID10224073
Created by admin on Sat Dec 16 12:56:41 GMT 2023 , Edited by admin on Sat Dec 16 12:56:41 GMT 2023
PRIMARY
CAS
73747-35-0
Created by admin on Sat Dec 16 12:56:41 GMT 2023 , Edited by admin on Sat Dec 16 12:56:41 GMT 2023
PRIMARY
FDA UNII
PY5HW9Q5MV
Created by admin on Sat Dec 16 12:56:41 GMT 2023 , Edited by admin on Sat Dec 16 12:56:41 GMT 2023
PRIMARY