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etravirine

PropertiesImage
MNX_IDMNXM52886 Image of MNXM52886
referencechebi:63589
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)
SMILESCC1=CC(C#N)=CC(C)=C1OC1=NC(NC2=CC=C(C#N)C=C2)=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=[N:27][C:20]([NH:25][C:15]2=[CH:6][CH:4]=[C:13]([C:9]#[N:22])[CH:3]=[CH:5]2)=[N:26][C:18]([NH2:24])=[C:16]1[Br:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63589
chebi:63589
PYGWGZALEOIKDF-UHFFFAOYSA-N 		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
PYGWGZALEOIKDF-UHFFFAOYSA-N 		Etravirine (JAN/USAN/INN)
ABBR ETR
Intelence (TN)

keggD:M_D04112 		secondary/obsolete/fantasy identifier