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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15BrN6O2
Molecular Weight 451.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETRAVIRINE N-OXIDE

SMILES

CC1=CC(=CC(C)=C1OC2=NC(NC3=CC=C(C=C3)C#N)=[N+]([O-])C(N)=C2Br)C#N

InChI

InChIKey=OMUNFNCINYCWLK-UHFFFAOYSA-N
InChI=1S/C20H15BrN6O2/c1-11-7-14(10-23)8-12(2)17(11)29-19-16(21)18(24)27(28)20(26-19)25-15-5-3-13(9-22)4-6-15/h3-8H,24H2,1-2H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C20H15BrN6O2
Molecular Weight 451.276
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:49:36 GMT 2025
Edited
by admin
on Wed Apr 02 10:49:36 GMT 2025
Record UNII
QP5UG7XF7K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)-1-OXIDO-4-PYRIMIDINYL)OXY)-3,5-DIMETHYLBENZONITRILE
Preferred Name English
ETRAVIRINE N-OXIDE
Common Name English
6-AMINO-5-BROMO-4-(4-CYANO-2,6-DIMETHYLPHENOXY)-2-((4-CYANOPHENYL)AMINO)PYRIMIDINE 1-OXIDE
Systematic Name English
BENZONITRILE, 4-((6-AMINO-5-BROMO-2-((4-CYANOPHENYL)AMINO)-1-OXIDO-4-PYRIMIDINYL)OXY)-3,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
QP5UG7XF7K
Created by admin on Wed Apr 02 10:49:36 GMT 2025 , Edited by admin on Wed Apr 02 10:49:36 GMT 2025
PRIMARY
CAS
907180-19-2
Created by admin on Wed Apr 02 10:49:36 GMT 2025 , Edited by admin on Wed Apr 02 10:49:36 GMT 2025
PRIMARY