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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H12N6
Molecular Weight 312.3281
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4?-(2,4-Pyrimidinediyldiimino)bis[benzonitrile]

SMILES

N#CC1=CC=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C=C1

InChI

InChIKey=APKMCRKIHKSVAA-UHFFFAOYSA-N
InChI=1S/C18H12N6/c19-11-13-1-5-15(6-2-13)22-17-9-10-21-18(24-17)23-16-7-3-14(12-20)4-8-16/h1-10H,(H2,21,22,23,24)

HIDE SMILES / InChI

Approval Year

Name Type Language
Rilpivirine Impurity 1
Preferred Name English
4,4?-(2,4-Pyrimidinediyldiimino)bis[benzonitrile]
Systematic Name English
4-({4-[(4-cyanophenyl)amino]pyrimidin-2-yl}amino)benzonitrile
Systematic Name English
Benzonitrile, 4,4?-(2,4-pyrimidinediyldiimino)bis-
Systematic Name English
Code System Code Type Description
CAS
1629023-90-0
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
FDA UNII
9SJZ6B9GLA
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
PUBCHEM
84506523
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY