3-[6-ETHYL-2-(3-FLUORO-PHENYL)-5-METHYL-PYRIMIDIN-4-YLAMINO]-BENZOIC ACID

CAS No.
CCD No.
CCD03192108
Formula
C20 H18 F N3 O2
MolWeight
351.379

Basic Information

Product Name: 3-[6-ETHYL-2-(3-FLUORO-PHENYL)-5-METHYL-PYRIMIDIN-4-YLAMINO]-BENZOIC ACID
English Synonyms: 3-[6-ETHYL-2-(3-FLUORO-PHENYL)-5-METHYL-PYRIMIDIN-4-YLAMINO]-BENZOIC ACID
MDL Number.: MFCD16812016
H bond acceptor: 5
H bond donor: 2
Smile: CCc1c(c(nc(n1)c2cccc(c2)F)Nc3cccc(c3)C(=O)O)C
InChi: InChI=1S/C20H18FN3O2/c1-3-17-12(2)18(22-16-9-5-7-14(11-16)20(25)26)24-19(23-17)13-6-4-8-15(21)10-13/h4-11H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChiKey: InChIKey=NHVPSIWNSLCEAR-UHFFFAOYSA-N

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