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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8ClN3O2
Molecular Weight 261.664
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile

SMILES

ClC1=CC(=O)NC(=O)N1CC2=C(C=CC=C2)C#N

InChI

InChIKey=JASGBRKRMPRRTD-UHFFFAOYSA-N
InChI=1S/C12H8ClN3O2/c13-10-5-11(17)15-12(18)16(10)7-9-4-2-1-3-8(9)6-14/h1-5H,7H2,(H,15,17,18)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
Preferred Name English
2-((6-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)methyl)benzonitrile
Systematic Name English
2-[(6-Chloro-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
Systematic Name English
Benzonitrile, 2-[(6-chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-
Systematic Name English
2-[(6-Chloro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50463469
Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025
PRIMARY
PUBCHEM
11357468
Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025
PRIMARY
FDA UNII
QE9YSU7FVE
Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025
PRIMARY
CAS
865758-95-8
Created by admin on Wed Apr 02 20:01:01 GMT 2025 , Edited by admin on Wed Apr 02 20:01:01 GMT 2025
PRIMARY
NIH
NCATS
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