basic_info |
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Product_Name: | 2-(5-CYANO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-BENZOIC ACID |
EnglishSynonyms: | 2-(5-CYANO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-BENZOIC ACID |
pro_mdlNumber: | MFCD17015127 |
pro_acceptors: | 7 |
pro_donors: | 2 |
pro_smile: | c1ccc(c(c1)C(=O)O)n2cc(c(=O)[nH]c2=O)C#N |
InChi: | InChI=1S/C12H7N3O4/c13-5-7-6-15(12(19)14-10(7)16)9-4-2-1-3-8(9)11(17)18/h1-4,6H,(H,17,18)(H,14,16,19) |
InChiKey: | InChIKey=CQLBKDMAZDROHF-UHFFFAOYSA-N |
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