化学式

CAS号

IUPAC Name

甲基(4R)-2-氨基-4-[2-(2-溴乙炔基)-4-氰基苯基]-3-氨基甲酰-6-甲基-1-[3-(三氟甲基)苯基]-4H-嘧啶-1-ium-5-甲酸基酯 methyl (4R)-2-amino-4-[2-(2-bromoethynyl)-4-cyanophenyl]-3-carbamoyl-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-1-ium-5-carboxylate

InChI

InChI=1S/C24H17BrF3N5O3/c1-13-19(21(34)36-2)20(18-7-6-14(12-29)10-15(18)8-9-25)33(23(31)35)22(30)32(13)17-5-3-4-16(11-17)24(26,27)28/h3-7,10-11,20,30H,1-2H3,(H2,31,35)/p+1/t20-/m1/s1

InChI Key

DPSZOWBOHPNWBC-HXUWFJFHSA-O

Canonical SMILES

CC1=C(C(N(C(=[N+]1C2=CC=CC(=C2)C(F)(F)F)N)C(=O)N)C3=C(C=C(C=C3)C#N)C#CBr)C(=O)OC

别名