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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18N6O
Molecular Weight 382.4179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (E)-2-((4-Cyanophenyl)amino)-4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)pyrimidine 1-oxide

SMILES

CC1=CC(\C=C\C#N)=CC(C)=C1NC2=NC(NC3=CC=C(C=C3)C#N)=[N+]([O-])C=C2

InChI

InChIKey=QWSLBBXAWPYXSL-ONEGZZNKSA-N
InChI=1S/C22H18N6O/c1-15-12-18(4-3-10-23)13-16(2)21(15)26-20-9-11-28(29)22(27-20)25-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27)/b4-3+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Rilpivirine N1-Oxide
Preferred Name English
(E)-2-((4-Cyanophenyl)amino)-4-((4-(2-cyanovinyl)-2,6-dimethylphenyl)amino)pyrimidine 1-oxide
Systematic Name English
4-[[4-[[4-(2-Cyanoethenyl)-2,6-dimethylphenyl]amino]-1-oxido-2-pyrimidinyl]amino]benzonitrile
Systematic Name English
Benzonitrile, 4-[[4-[[4-(2-cyanoethenyl)-2,6-dimethylphenyl]amino]-1-oxido-2-pyrimidinyl]amino]-
Systematic Name English
Code System Code Type Description
CAS
2734549-19-8
Created by admin on Wed Apr 02 19:24:14 GMT 2025 , Edited by admin on Wed Apr 02 19:24:14 GMT 2025
PRIMARY
FDA UNII
U8LJE54Y4V
Created by admin on Wed Apr 02 19:24:14 GMT 2025 , Edited by admin on Wed Apr 02 19:24:14 GMT 2025
PRIMARY
NIH
NCATS
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