8-(BENZYLAMINO)-7-(2-HYDROXYETHYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

CAS号
115294-87-6
CCD编号
CCD00433307
分子式
C15 H17 N5 O3
分子量
315.331

基本信息

产品名称: 8-(BENZYLAMINO)-7-(2-HYDROXYETHYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
CAS: 115294-87-6
英文同义词: 8-(BENZYLAMINO)-7-(2-HYDROXYETHYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
MDL号: MFCD03933732
氢键受体数量: 8
氢键供体数量: 3
Smile: Cn1c2c(c(=O)[nH]c1=O)n(c(n2)NCc3ccccc3)CCO
InChi: InChI=1S/C15H17N5O3/c1-19-12-11(13(22)18-15(19)23)20(7-8-21)14(17-12)16-9-10-5-3-2-4-6-10/h2-6,21H,7-9H2,1H3,(H,16,17)(H,18,22,23)
InChiKey: InChIKey=VNHGXVMZTXWCMD-UHFFFAOYSA-N

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