basic_info |
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| Product_Name: | N'-[(E)-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-2-[(4-OXO-3-PHENYL-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETOHYDRAZIDE |
| CAS: | 497168-91-9 |
| EnglishSynonyms: | N'-[(E)-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-2-[(4-OXO-3-PHENYL-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETOHYDRAZIDE |
| pro_mdlNumber: | MFCD03222399 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | COc1cc(cc(c1O)Br)/C=N/NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccccc5 |
| InChi: | InChI=1S/C26H23BrN4O4S2/c1-35-19-12-15(11-18(27)23(19)33)13-28-30-21(32)14-36-26-29-24-22(17-9-5-6-10-20(17)37-24)25(34)31(26)16-7-3-2-4-8-16/h2-4,7-8,11-13,33H,5-6,9-10,14H2,1H3,(H,30,32)/b28-13+ |
| InChiKey: | InChIKey=YTXOHJGIGRKEGQ-XODNFHPESA-N |
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