3-(5-NITRO-4-THIOCYANATO-PYRIMIDIN-2-YL)-3H-BENZOIMIDAZOLE-5-CARBONITRILE

CAS号
1018978-50-1
CCD编号
CCD01287071
分子式
C13 H5 N7 O2 S
分子量
323.296

基本信息

产品名称: 3-(5-NITRO-4-THIOCYANATO-PYRIMIDIN-2-YL)-3H-BENZOIMIDAZOLE-5-CARBONITRILE
CAS: 1018978-50-1
英文同义词: 2-(6-CYANO-1H-BENZIMIDAZOL-1-YL)-5-NITRO-4-PYRIMIDINYL ESTER THIOCYANIC ACID ; 3-(5-NITRO-4-THIOCYANATO-PYRIMIDIN-2-YL)-3H-BENZOIMIDAZOLE-5-CARBONITRILE ; THIOCYANIC ACID 2-(6-CYANO-1H-BENZIMIDAZOL-1-YL)-5-NITRO-4-PYRIMIDINYL ESTER
MDL号: MFCD11865140
氢键受体数量: 9
氢键供体数量: 0
Smile: c1cc2c(cc1C#N)n(cn2)c3ncc(c(n3)SC#N)[N+](=O)[O-]
InChi: InChI=1S/C13H5N7O2S/c14-4-8-1-2-9-10(3-8)19(7-17-9)13-16-5-11(20(21)22)12(18-13)23-6-15/h1-3,5,7H
InChiKey: InChIKey=BKINTJAXGLIKMI-UHFFFAOYSA-N

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