Rilpivirine

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Systematic / IUPAC Name: 4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-dimethylphenyl}amino)-2-pyrimidinyl]amino}benzonitrile

ID: Reference7599

Other Names: 4-{[4-({4-[(E)-2-Cyanoethenyl]-2,6-dimethyl-phenyl}amino)pyrimidin-2-yl]amino}benzonitrile ;
4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-dimethylanilino}-2-pyrimidinyl)amino]benzonitrile ;
4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-dimethylanilino}pyrimidin-2-yl)amino]benzonitrile ;
4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile;
4-{4-[4-((E)-2-Cyano-vinyl)-2,6-dimethyl-phenylamino]-pyrimidin-2-ylamino}-benzonitrile

Formula: C22H18N6

Class: Therapeutics/Prescription Drugs

Spectral Data

Rilpivirine 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 109
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/21/2018 11:48:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+
InChI Key YIBOMRUWOWDFLG-ONEGZZNKSA-N
Canonical SMILES CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N
CAS
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Other Names 4-{[4-({4-[(E)-2-Cyanoethenyl]-2,6-dimethyl-phenyl}amino)pyrimidin-2-yl]amino}benzonitrile ;
4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-dimethylanilino}-2-pyrimidinyl)amino]benzonitrile ;
4-[(4-{4-[(E)-2-Cyanoethenyl]-2,6-dimethylanilino}pyrimidin-2-yl)amino]benzonitrile ;
4-{[4-({4-[(E)-2-Cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile;
4-{4-[4-((E)-2-Cyano-vinyl)-2,6-dimethyl-phenylamino]-pyrimidin-2-ylamino}-benzonitrile;
Benzonitrile,4-{[4-({4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)-2-pyrimidinyl]amino}-

In Other Databases

ChemSpider 4953643
PubChem 6451164
KEGG D09720
DrugBank DB08864; DB05083; DB08592
Wikipedia Rilpivirine
ChemIDPlus 500287729
HMDb HMDB61725
ChEMBL CHEMBL175691
ChEBI CHEBI:68606