basic_info |
|
| Product_Name： | 8-MERCAPTOCAFFEINE HYDROCHLORIDE |
| CAS： | 56223-58-6 |
| EnglishSynonyms： | 8-MERCAPTOCAFFEINE HYDROCHLORIDE |
| pro_mdlNumber： | MFCD01737724 |
| pro_acceptors： | 6 |
| pro_donors： | 0 |
| pro_smile： | Cn1c2c(nc1S)n(c(=O)n(c2=O)C)C.Cl |
| InChi： | InChI=1S/C8H10N4O2S.ClH/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13;/h1-3H3,(H,9,15);1H |
| InChiKey： | InChIKey=VJTLRONPTOKCQJ-UHFFFAOYSA-N |
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