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

Unknown
139594
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
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966