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Details

Stereochemistry ACHIRAL
Molecular Formula C21H13ClF6N6O3
Molecular Weight 546.81
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[3-Chloro-5-[4-(trifluoromethyl)-2-pyrimidinyl]phenoxy]-1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)-2(1H)-pyridinone

SMILES

CN1C(=O)NN=C1CN2C=CC(=C(OC3=CC(=CC(Cl)=C3)C4=NC(=CC=N4)C(F)(F)F)C2=O)C(F)(F)F

InChI

InChIKey=WSZNGPXAZSGDAR-UHFFFAOYSA-N
InChI=1S/C21H13ClF6N6O3/c1-33-15(31-32-19(33)36)9-34-5-3-13(20(23,24)25)16(18(34)35)37-12-7-10(6-11(22)8-12)17-29-4-2-14(30-17)21(26,27)28/h2-8H,9H2,1H3,(H,32,36)

HIDE SMILES / InChI

Molecular Formula C21H13ClF6N6O3
Molecular Weight 546.81
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 19:21:40 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:40 GMT 2025
Record UNII
B4HD4A36YU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[3-Chloro-5-[4-(trifluoromethyl)-2-pyrimidinyl]phenoxy]-1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)-2(1H)-pyridinone
Systematic Name English
DORAVIRINE IMPURITY E
Preferred Name English
2(1H)-Pyridinone, 3-[3-chloro-5-[4-(trifluoromethyl)-2-pyrimidinyl]phenoxy]-1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
2054541-32-9
Created by admin on Wed Apr 02 19:21:40 GMT 2025 , Edited by admin on Wed Apr 02 19:21:40 GMT 2025
PRIMARY
FDA UNII
B4HD4A36YU
Created by admin on Wed Apr 02 19:21:40 GMT 2025 , Edited by admin on Wed Apr 02 19:21:40 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY