basic_info |
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| Product_Name: | 7-(3-BROMOBENZYL)-8-(ETHYLAMINO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| CAS: | 476480-94-1 |
| EnglishSynonyms: | 7-(3-BROMOBENZYL)-8-(ETHYLAMINO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD03933664 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | CCNc1nc2c(n1Cc3cccc(c3)Br)c(=O)[nH]c(=O)n2C |
| InChi: | InChI=1S/C15H16BrN5O2/c1-3-17-14-18-12-11(13(22)19-15(23)20(12)2)21(14)8-9-5-4-6-10(16)7-9/h4-7H,3,8H2,1-2H3,(H,17,18)(H,19,22,23) |
| InChiKey: | InChIKey=YYLHQWROSYFEQT-UHFFFAOYSA-N |
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