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etravirine

PropertiesImageOccurences in reactions
MNX_IDMNXM52886Image of MNXM52886
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC20H15BrN6O
charge0
mass434.04907
referencechebi:63589
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
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:63589
chebi:63589 		etravirine
4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
CHEBI:47148
chebi:47148 		4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
kegg.drug:D04112
keggD:D04112 		Etravirine (JAN/USAN/INN)
ABBR ETR
Intelence (TN)
keggD:M_D04112 secondary/obsolete/fantasy identifier