ETRAVIRINE ,269055-15-4 _Chemical Cloud Database

ETRAVIRINE

Basic Information
Product Name：	ETRAVIRINE
CAS：	269055-15-4 ;269005-15-4
English Synonyms：	BENZONITRILE, 4-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYL- ; ETRAVIRINE (TMC125) ; 4-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYLBENZONITRILE ; TMC125 ; INTELENCE ; ETRAVIRINE
MDL Number.：	MFCD09837879
H bond acceptor：	7
H bond donor：	2
Smile：	Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N
InChi：	InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
InChiKey：	InChIKey=PYGWGZALEOIKDF-UHFFFAOYSA-N
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