8-[(2E)-2-[(6-NITRO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]HYDRAZINYL]-1,9-DIHYDROPURIN-6-ONE

CAS号
CCD编号
CCD08087696
分子式
C13 H9 N7 O5
分子量
343.258

基本信息

产品名称: 8-[(2E)-2-[(6-NITRO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]HYDRAZINYL]-1,9-DIHYDROPURIN-6-ONE
英文同义词: 8-[(2E)-2-[(6-NITRO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]HYDRAZINYL]-1,9-DIHYDROPURIN-6-ONE
MDL号: MFCD01649218
氢键受体数量: 12
氢键供体数量: 3
Smile: c1c(c(cc2c1OCO2)[N+](=O)[O-])/C=N/Nc3[nH]c4c(n3)c(=O)[nH]cn4
InChi: InChI=1S/C13H9N7O5/c21-12-10-11(14-4-15-12)18-13(17-10)19-16-3-6-1-8-9(25-5-24-8)2-7(6)20(22)23/h1-4H,5H2,(H3,14,15,17,18,19,21)/b16-3+
InChiKey: InChIKey=CCKFRIHBVFELRP-HQYXKAPLSA-N

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