8-[(2E)-2-[(4-BROMOPHENYL)METHYLIDENE]HYDRAZINYL]-7-[(E)-BUT-2-ENYL]-3-METHYLPURINE-2,6-DIONE

CAS号
CCD编号
CCD08080990
分子式
C17 H17 Br N6 O2
分子量
417.265

基本信息

产品名称: 8-[(2E)-2-[(4-BROMOPHENYL)METHYLIDENE]HYDRAZINYL]-7-[(E)-BUT-2-ENYL]-3-METHYLPURINE-2,6-DIONE
英文同义词: 8-[(2E)-2-[(4-BROMOPHENYL)METHYLIDENE]HYDRAZINYL]-7-[(E)-BUT-2-ENYL]-3-METHYLPURINE-2,6-DIONE
MDL号: MFCD01556421
氢键受体数量: 8
氢键供体数量: 2
Smile: C/C=C/Cn1c2c(=O)[nH]c(=O)n(c2nc1N/N=C/c3ccc(cc3)Br)C
InChi: InChI=1S/C17H17BrN6O2/c1-3-4-9-24-13-14(23(2)17(26)21-15(13)25)20-16(24)22-19-10-11-5-7-12(18)8-6-11/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,25,26)/b4-3+,19-10+
InChiKey: InChIKey=MCNMENZHHIRFNF-VAKDNYGLSA-N

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