4-(ISOPROPYLAMINO)-2-(2-[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]ETHYL)PYRIMIDINE-5-CARBOXYLIC ACID

CAS号
CCD编号
CCD02495305
分子式
C20 H26 N4 O4 S
分子量
418.515

基本信息

产品名称: 4-(ISOPROPYLAMINO)-2-(2-[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]ETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
英文同义词: 4-(ISOPROPYLAMINO)-2-(2-[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]ETHYL)PYRIMIDINE-5-CARBOXYLIC ACID
MDL号: MFCD15731583
氢键受体数量: 8
氢键供体数量: 2
Smile: CC(C)Nc1c(cnc(n1)CCc2ccc(cc2)S(=O)(=O)N3CCCC3)C(=O)O
InChi: InChI=1S/C20H26N4O4S/c1-14(2)22-19-17(20(25)26)13-21-18(23-19)10-7-15-5-8-16(9-6-15)29(27,28)24-11-3-4-12-24/h5-6,8-9,13-14H,3-4,7,10-12H2,1-2H3,(H,25,26)(H,21,22,23)
InChiKey: InChIKey=OCBLDTCWUXMSIX-UHFFFAOYSA-N