N-[2-[(1R,4S)-6-[[4-(环丁基氨基)-5-(三氟甲基)-2-嘧啶基]氨基]-1,2,3,4-四氢萘-1,4-亚氨-9-基]-2-氧代乙基]乙酰胺甲磺酸盐 (1:1)

pro_cas
942487-63-0
pro_cdbregno
CCD03028117
pro_formula
C21 H22 F3 N5 O . C H4 O3 S
pro_molWeight
513.538

basic_info

Product_Name: N-[2-[(1R,4S)-6-[[4-(环丁基氨基)-5-(三氟甲基)-2-嘧啶基]氨基]-1,2,3,4-四氢萘-1,4-亚氨-9-基]-2-氧代乙基]乙酰胺甲磺酸盐 (1:1)
CAS: 942487-63-0
中文同义词: N-[2-[(1R,4S)-6-[[4-(环丁基氨基)-5-(三氟甲基)-2-嘧啶基]氨基]-1,2,3,4-四氢萘-1,4-亚氨-9-基]-2-氧代乙基]乙酰胺甲磺酸盐 (1:1)
EnglishSynonyms: N-[2-[(1R,4S)-6-[[4-(CYCLOBUTYLAMINO)-5-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]AMINO]-1,2,3,4-TETRAHYDRONAPHTHALEN-1,4-IMIN-9-YL]-2-OXOETHYL]ACETAMIDE METHANESULFONATE (1:1)
pro_mdlNumber: MFCD16621132
pro_acceptors: 6
pro_donors: 2
pro_smile: CC(=O)N1[C@@H]2CC[C@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F.CS(=O)(=O)O
InChi: InChI=1S/C21H22F3N5O.CH4O3S/c1-11(30)29-17-7-8-18(29)15-9-13(5-6-14(15)17)27-20-25-10-16(21(22,23)24)19(28-20)26-12-3-2-4-12;1-5(2,3)4/h5-6,9-10,12,17-18H,2-4,7-8H2,1H3,(H2,25,26,27,28);1H3,(H,2,3,4)/t17-,18+;/m1./s1
InChiKey: InChIKey=QTJANDJCYTUGNP-URBRKQAFSA-N

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