Identification
Name |
6,7-Dihydro-1,3-Dimethyl-8-(Hexylthio)-6-Thioxo-1H-Purin-2(3H)-One |
Synonyms |
8-Hexylsulfanyl-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-(Hexylthio)-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 6-Thio-8-N-Hexylthiotheophylline |
|
Molecular Structure |
 |
Molecular Formula |
C13H20N4OS2 |
Molecular Weight |
312.45 |
CAS Registry Number |
4791-38-2 |
SMILES |
C(SC2=NC1=C(C(N(C(N1C)=O)C)=S)[NH]2)CCCCC |
InChI |
1S/C13H20N4OS2/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(18)17(3)11(9)19/h4-8H2,1-3H3,(H,14,15) |
InChIKey |
DPTNPVOBXQRVHR-UHFFFAOYSA-N |
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