Basic Information |
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| Product Name： | 8-MERCAPTOCAFFEINE |
| CAS： | 1790-74-5 |
| English Synonyms： | 8-MERCAPTOCAFFEINE ; 8-MERCAPTO-1,3,7-TRIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE |
| MDL Number.： | MFCD00561621 |
| H bond acceptor： | 6 |
| H bond donor： | 0 |
| Smile： | Cn1c2c(nc1S)n(c(=O)n(c2=O)C)C |
| InChi： | InChI=1S/C8H10N4O2S/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13/h1-3H3,(H,9,15) |
| InChiKey： | InChIKey=PBFGLXCHNDQITC-UHFFFAOYSA-N |
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