Basic Information |
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| Product Name： | 8-MERCAPTOISOCAFFEINE |
| CAS： | 2564-54-7 |
| English Synonyms： | 8-MERCAPTOISOCAFFEINE |
| MDL Number.： | MFCD01718116 |
| H bond acceptor： | 6 |
| H bond donor： | 0 |
| Smile： | Cn1c2c(c(=O)n(c(=O)n2C)C)nc1S |
| InChi： | InChI=1S/C8H10N4O2S/c1-10-5-4(9-7(10)15)6(13)12(3)8(14)11(5)2/h1-3H3,(H,9,15) |
| InChiKey： | InChIKey=ULPYQIHKMUDZLR-UHFFFAOYSA-N |
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