Identification
Name |
1,3-Dimethyl-2,7-Dihydro-8-(Hexylthio)-2-Thioxo-1H-Purin-6(3H)-One |
Synonyms |
8-Hexylsulfanyl-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 8-(Hexylthio)-1,3-Dimethyl-2-Thioxo-7H-Purin-6-One; 2-Thio-8-N-Hexylthiotheophylline |
|
Molecular Structure |
 |
Molecular Formula |
C13H20N4OS2 |
Molecular Weight |
312.45 |
CAS Registry Number |
4869-71-0 |
SMILES |
C(SC2=NC1=C(C(N(C)C(N1C)=S)=O)[NH]2)CCCCC |
InChI |
1S/C13H20N4OS2/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(19)17(3)11(9)18/h4-8H2,1-3H3,(H,14,15) |
InChIKey |
NKQXGATZTNBEET-UHFFFAOYSA-N |
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