basic_info |
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| Product_Name: | 8-AMINO-7-(3-BROMOBENZYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| CAS: | 476480-91-8 |
| EnglishSynonyms: | 8-AMINO-7-(3-BROMOBENZYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
| pro_mdlNumber: | MFCD03933661 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | Cn1c2c(c(=O)[nH]c1=O)n(c(n2)N)Cc3cccc(c3)Br |
| InChi: | InChI=1S/C13H12BrN5O2/c1-18-10-9(11(20)17-13(18)21)19(12(15)16-10)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H2,15,16)(H,17,20,21) |
| InChiKey: | InChIKey=CTJJWCYUWJZOAO-UHFFFAOYSA-N |
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