4'-{[4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile (HCID 67009236)

基本情報

標準SMILES: CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC3(CC2)OCC(C)(C)CO3)c2ncnn12
InChIKey: UUGUPWYLZCIZOG-UHFFFAOYSA-N
分子式: C33H37N5O3
平均分子量: 551.7 g/mol
単同位体質量: 551.28964006

名称と識別子

優先名称: 4'-{[4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
IUPAC: 2-[4-[[4-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile

名称と別名

SCHEMBL1371890UUGUPWYLZCIZOG-UHFFFAOYSA-N4'-{[4-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile