basic_info |
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| Product_Name: | (E)-1,3-DIETHYL-8-(3-FLUORO-2-METHYLSTYRYL)-7-METHYLXANTHINE HEMIHYDRATE |
| CAS: | 155272-02-9 |
| EnglishSynonyms: | (E)-1,3-DIETHYL-8-(3-FLUORO-2-METHYLSTYRYL)-7-METHYLXANTHINE HEMIHYDRATE |
| pro_mdlNumber: | MFCD01757815 |
| pro_acceptors: | 6 |
| pro_donors: | 0 |
| pro_smile: | CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3C)F)C.O |
| InChi: | InChI=1S/C19H21FN4O2.H2O/c1-5-23-17-16(18(25)24(6-2)19(23)26)22(4)15(21-17)11-10-13-8-7-9-14(20)12(13)3;/h7-11H,5-6H2,1-4H3;1H2/b11-10+; |
| InChiKey: | InChIKey=VPLRMWDQANWGNJ-ASTDGNLGSA-N |
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