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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N3O3
Molecular Weight 257.2447
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Cyanobenzyl)-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione

SMILES

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

InChI

InChIKey=DKHJOIKVHXDVDI-UHFFFAOYSA-N
InChI=1S/C13H11N3O3/c1-15-11(17)6-12(18)16(13(15)19)8-10-5-3-2-4-9(10)7-14/h2-5H,6,8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-[(3-Methyl-2,4,6-trioxo-1,3-diazinan-1-yl)methyl]benzonitrile
Preferred Name English
1-(2-Cyanobenzyl)-3-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Systematic Name English
2-[(Tetrahydro-3-methyl-2,4,6-trioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
Systematic Name English
Benzonitrile, 2-[(tetrahydro-3-methyl-2,4,6-trioxo-1(2H)-pyrimidinyl)methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
654EZD3L2V
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
PUBCHEM
46918042
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
CAS
1246610-72-9
Created by admin on Wed Apr 02 17:45:03 GMT 2025 , Edited by admin on Wed Apr 02 17:45:03 GMT 2025
PRIMARY
NIH
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