4-[5-[(2-乙氧基-5-嘧啶)甲基]-2-[[(4-氟苯基)甲基]硫代]-4-氧代-1(4H)-嘧啶]-苯甲酸乙酯

CAS号
306974-70-9
CCD编号
CCD00898516
分子式
C27 H25 F N4 O4 S
分子量
520.583

基本信息

产品名称: 4-[5-[(2-乙氧基-5-嘧啶)甲基]-2-[[(4-氟苯基)甲基]硫代]-4-氧代-1(4H)-嘧啶]-苯甲酸乙酯
CAS: 306974-70-9
中文同义词: 4-[5-[(2-乙氧基-5-嘧啶)甲基]-2-[[(4-氟苯基)甲基]硫代]-4-氧代-1(4H)-嘧啶]-苯甲酸乙酯 ; 2-巯基乳酸锂
英文同义词: 4-[5-[(2-ETHOXY-5-PYRIMIDINYL)METHYL]-2-[[(4-FLUOROPHENYL)METHYL]THIO]-4-OXO-1(4H)-PYRIMIDINYL]-BENZOIC ACID ETHYL ESTER ; GW-1100 ; BENZOIC ACID, 4-[5-[(2-ETHOXY-5-PYRIMIDINYL)METHYL]-2-[[(4-FLUOROPHENYL)METHYL]THIO]-4-OXO-1(4H)-PYRIMIDINYL]-, ETHYL ESTER ; ETHYL 4-(5-((2-ETHOXYPYRIMIDIN-5-YL)METHYL)-2-((4-FLUOROBENZYL)THIO)-4-OXOPYRIMIDIN-1(4H)-YL)BENZOATE ; 1-(4-ETHOXYCARBONYLPHENYL)-2-(4-FLUOROBENZYLTHIO)-5-(2-ETHOXY-5-PYRIMIDINYLMETHYL)-4-PYRIMIDINONE
MDL号: MFCD09953714
氢键受体数量: 8
氢键供体数量: 0
Smile: CCOc1ncc(cn1)Cc2cn(c(nc2=O)SCc3ccc(cc3)F)c4ccc(cc4)C(=O)OCC
InChi: InChI=1S/C27H25FN4O4S/c1-3-35-25(34)20-7-11-23(12-8-20)32-16-21(13-19-14-29-26(30-15-19)36-4-2)24(33)31-27(32)37-17-18-5-9-22(28)10-6-18/h5-12,14-16H,3-4,13,17H2,1-2H3
InChiKey: InChIKey=PTPNCCWOTBBVJR-UHFFFAOYSA-N

性质

安全信息

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