basic_info |
|
| Product_Name： | 1-METHYL-3-BENZYLXANTHINE |
| CAS： | 63908-22-5 |
| EnglishSynonyms： | 1-METHYL-3-BENZYLXANTHINE |
| pro_mdlNumber： | MFCD01694234 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | Cn1c(=O)c2c(nc[nH]2)n(c1=O)Cc3ccccc3 |
| InChi： | InChI=1S/C13H12N4O2/c1-16-12(18)10-11(15-8-14-10)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15) |
| InChiKey： | InChIKey=QLZYLBHFANJARQ-UHFFFAOYSA-N |
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