U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H15ClN6O
Molecular Weight 390.826
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((6-AMINO-5-CHLORO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYLBENZONITRILE

SMILES

CC1=CC(=CC(C)=C1OC2=C(Cl)C(N)=NC(NC3=CC=C(C=C3)C#N)=N2)C#N

InChI

InChIKey=WPNAIKSJHKWRNV-UHFFFAOYSA-N
InChI=1S/C20H15ClN6O/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)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-((6-AMINO-5-CHLORO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYLBENZONITRILE
Systematic Name English
BENZONITRILE, 4-((6-AMINO-5-CHLORO-2-((4-CYANOPHENYL)AMINO)-4-PYRIMIDINYL)OXY)-3,5-DIMETHYL-
Systematic Name English
ETRAVIRINE IMPURITY 4
Common Name English
Code System Code Type Description
CAS
269055-19-8
Created by admin on Sat Dec 16 18:21:15 GMT 2023 , Edited by admin on Sat Dec 16 18:21:15 GMT 2023
PRIMARY
PUBCHEM
9843413
Created by admin on Sat Dec 16 18:21:15 GMT 2023 , Edited by admin on Sat Dec 16 18:21:15 GMT 2023
PRIMARY
FDA UNII
HLE5YMW9CM
Created by admin on Sat Dec 16 18:21:15 GMT 2023 , Edited by admin on Sat Dec 16 18:21:15 GMT 2023
PRIMARY