8-(1-AZEPANYL)-7-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ETHYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

CAS号
CCD编号
CCD08174876
分子式
C21 H24 N6 O3 S
分子量
440.526

基本信息

产品名称: 8-(1-AZEPANYL)-7-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ETHYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
英文同义词: 8-(1-AZEPANYL)-7-[2-(1,3-BENZOXAZOL-2-YLSULFANYL)ETHYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
MDL号: MFCD03417387
氢键受体数量: 9
氢键供体数量: 1
Smile: Cn1c2c(c(=O)[nH]c1=O)n(c(n2)N3CCCCCC3)CCSc4nc5ccccc5o4
InChi: InChI=1S/C21H24N6O3S/c1-25-17-16(18(28)24-20(25)29)27(19(23-17)26-10-6-2-3-7-11-26)12-13-31-21-22-14-8-4-5-9-15(14)30-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,24,28,29)
InChiKey: InChIKey=BFYHJPYKRFSEEZ-UHFFFAOYSA-N

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