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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8N4O
Molecular Weight 212.2074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-Oxo-1,4-dihydropyrimidin-2-yl)amino)benzonitrile

SMILES

O=C1NC(NC2=CC=C(C=C2)C#N)=NC=C1

InChI

InChIKey=BBNOJNASJQRRSH-UHFFFAOYSA-N
InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)

HIDE SMILES / InChI

Molecular Formula C11H8N4O
Molecular Weight 212.2074
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 19:17:18 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:18 GMT 2025
Record UNII
LVH6PR48ZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-Oxo-1,4-dihydropyrimidin-2-yl)amino)benzonitrile
Systematic Name English
4-[(1,4-Dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile
Preferred Name English
4-[(6-Oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile
Systematic Name English
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
Systematic Name English
Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
10751010
Created by admin on Wed Apr 02 19:17:18 GMT 2025 , Edited by admin on Wed Apr 02 19:17:18 GMT 2025
PRIMARY
CAS
189956-45-4
Created by admin on Wed Apr 02 19:17:18 GMT 2025 , Edited by admin on Wed Apr 02 19:17:18 GMT 2025
PRIMARY
FDA UNII
LVH6PR48ZU
Created by admin on Wed Apr 02 19:17:18 GMT 2025 , Edited by admin on Wed Apr 02 19:17:18 GMT 2025
PRIMARY