[6-(3-METHOXY-PHENYL)-2-(4-METHYLSULFANYL-BENZYLAMINO)-PYRIMIDIN-4-YLOXY]-ACETIC ACID

CAS号
CCD编号
CCD03196468
分子式
C21 H21 N3 O4 S
分子量
411.48

基本信息

产品名称: [6-(3-METHOXY-PHENYL)-2-(4-METHYLSULFANYL-BENZYLAMINO)-PYRIMIDIN-4-YLOXY]-ACETIC ACID
英文同义词: [6-(3-METHOXY-PHENYL)-2-(4-METHYLSULFANYL-BENZYLAMINO)-PYRIMIDIN-4-YLOXY]-ACETIC ACID
MDL号: MFCD16816376
氢键受体数量: 7
氢键供体数量: 2
Smile: COc1cccc(c1)c2cc(nc(n2)NCc3ccc(cc3)SC)OCC(=O)O
InChi: InChI=1S/C21H21N3O4S/c1-27-16-5-3-4-15(10-16)18-11-19(28-13-20(25)26)24-21(23-18)22-12-14-6-8-17(29-2)9-7-14/h3-11H,12-13H2,1-2H3,(H,25,26)(H,22,23,24)
InChiKey: InChIKey=ITKJYIKYPUGBNH-UHFFFAOYSA-N

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