basic_info |
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| Product_Name: | 8-(BUTYLTHIO)-7-HEXYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| EnglishSynonyms: | 8-(BUTYLTHIO)-7-HEXYL-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD01186341 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | CCCCCCn1c2c(=O)[nH]c(=O)n(c2nc1SCCCC)C |
| InChi: | InChI=1S/C16H26N4O2S/c1-4-6-8-9-10-20-12-13(17-16(20)23-11-7-5-2)19(3)15(22)18-14(12)21/h4-11H2,1-3H3,(H,18,21,22) |
| InChiKey: | InChIKey=XXJNPWIAAJTFLH-UHFFFAOYSA-N |
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