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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10ClN3O2
Molecular Weight 275.69
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(6-Chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

SMILES

CN1C(=O)C=C(Cl)N(CC2=C(C=CC=C2)C#N)C1=O

InChI

InChIKey=BVUJISIVAHYNLI-UHFFFAOYSA-N
InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[(6-Chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
Systematic Name English
2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
Preferred Name English
Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-
Systematic Name English
2-[(6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzonitrile
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10463107
Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025
PRIMARY
PUBCHEM
11346416
Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025
PRIMARY
CAS
865758-96-9
Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025
PRIMARY
FDA UNII
5ET9CPY8PH
Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025
PRIMARY