3-[(5-ETHOXYCARBONYL-2-METHYLSULFANYLPYRIMIDIN-4-YL)AMINO]BENZOIC ACID

CAS号
927994-19-2
CCD编号
CCD00737340
分子式
C15 H15 N3 O4 S
分子量
333.366

基本信息

产品名称: 3-[(5-ETHOXYCARBONYL-2-METHYLSULFANYLPYRIMIDIN-4-YL)AMINO]BENZOIC ACID
CAS: 927994-19-2
英文同义词: 3-[(5-ETHOXYCARBONYL-2-METHYLSULFANYLPYRIMIDIN-4-YL)AMINO]BENZOIC ACID
MDL号: MFCD09262739
氢键受体数量: 7
氢键供体数量: 2
Smile: CCOC(=O)c1cnc(nc1Nc2cccc(c2)C(=O)O)SC
InChi: InChI=1S/C15H15N3O4S/c1-3-22-14(21)11-8-16-15(23-2)18-12(11)17-10-6-4-5-9(7-10)13(19)20/h4-8H,3H2,1-2H3,(H,19,20)(H,16,17,18)
InChiKey: InChIKey=PGKDSAAAKHDSRV-UHFFFAOYSA-N

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