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4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile

PropertiesImage
MNX_IDMNXM52886 Image of MNXM52886
referencechebi:47148
formulaC20H15BrN6O
global charge0
mol weight435.285
InChIKeyPYGWGZALEOIKDF-UHFFFAOYSA-N
InChIInChI=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)
SMILESCc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM52886
SMILES (mnx)[CH3:1][c:11]1[cH:7][c:14]([C:10]#[N:23])[cH:8][c:12]([CH3:2])[c:17]1[O:28][c:19]1[c:16]([Br:21])[c:18]([NH2:24])[n:26][c:20]([NH:25][c:15]2[cH:5][cH:3][c:13]([C:9]#[N:22])[cH:4][cH:6]2)[n:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47148
chebi:47148
PYGWGZALEOIKDF-UHFFFAOYSA-N 		4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
R-165335
TMC-125
etravirin
intelence

vmhM:etr
vmhM:etr
vmhmetabolite:etr
vmhmetabolite:etr
PYGWGZALEOIKDF-UHFFFAOYSA-N 		Etravirine

kegg.drug:D04112
keggD:D04112
PYGWGZALEOIKDF-UHFFFAOYSA-N 		Etravirine (JAN/USAN/INN)
ABBR ETR
Intelence (TN)

CHEBI:63589
chebi:63589
PYGWGZALEOIKDF-UHFFFAOYSA-N 		etravirine
4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile

keggD:M_D04112
vmhM:M_etr 		secondary/obsolete/fantasy identifier