Etravirine

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Systematic / IUPAC Name: 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethylbenzonitrile

ID: Reference7575

Other Names: 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile ;
4-{[4-Amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino}-benzonitrile ;
Benzonitrile, 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethyl-

Formula: C20H15BrN6O

Class: Therapeutics/Prescription Drugs

Spectral Data

Etravirine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 108
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/19/2018 10:13:25 AM
View Mass Spec Data > >

Identificators

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)
InChI Key PYGWGZALEOIKDF-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
CAS
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Other Names 4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile ;
4-{[4-Amino-5-bromo-6-(4-cyano-2,6-dimethylphenyloxy)-2-pyrimidinyl]amino}-benzonitrile ;
Benzonitrile, 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl}oxy)-3,5-dimethyl-

In Other Databases

KEGG D04112
ChEBI CHEBI:63589
Wikipedia Etravirine
ChemSpider 168313
DrugBank DB07191; DB06414
PubChem 193962
ChEMBL CHEMBL308954
ChemIDPlus 269055154