basic_info |
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Product_Name: | 6-(4-METHYL-BENZYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE |
CAS: | 501678-62-2 |
EnglishSynonyms: | 6-(4-METHYL-BENZYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE |
pro_mdlNumber: | MFCD09835848 |
pro_acceptors: | 3 |
pro_donors: | 2 |
pro_smile: | Cc1ccc(cc1)Cc2cc(=O)[nH]c(=S)[nH]2 |
InChi: | InChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)6-10-7-11(15)14-12(16)13-10/h2-5,7H,6H2,1H3,(H2,13,14,15,16) |
InChiKey: | InChIKey=UPBWGKSZFHAGPE-UHFFFAOYSA-N |
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