7-BENZYL-1,3-DIMETHYL-8-((2E)-2-[1-(4-NITROPHENYL)ETHYLIDENE]HYDRAZINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE HYDRATE

CAS号
CCD编号
CCD00515880
分子式
C22 H21 N7 O4 . H2 O
分子量
465.468

基本信息

产品名称: 7-BENZYL-1,3-DIMETHYL-8-((2E)-2-[1-(4-NITROPHENYL)ETHYLIDENE]HYDRAZINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE HYDRATE
英文同义词: 7-BENZYL-1,3-DIMETHYL-8-((2E)-2-[1-(4-NITROPHENYL)ETHYLIDENE]HYDRAZINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE HYDRATE
MDL号: MFCD06199266
氢键受体数量: 11
氢键供体数量: 1
Smile: C/C(=N\Nc1nc2c(n1Cc3ccccc3)c(=O)n(c(=O)n2C)C)/c4ccc(cc4)[N+](=O)[O-].O
InChi: InChI=1S/C22H21N7O4.H2O/c1-14(16-9-11-17(12-10-16)29(32)33)24-25-21-23-19-18(20(30)27(3)22(31)26(19)2)28(21)13-15-7-5-4-6-8-15;/h4-12H,13H2,1-3H3,(H,23,25);1H2/b24-14+;
InChiKey: InChIKey=KJXDPNNTROUYAI-SXMBIPSUSA-N

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