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_cas
497168-91-9
pro_cdbregno
CCD00365912
pro_formula
C26 H23 Br N4 O4 S2
pro_molWeight
599.528

basic_info

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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