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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H12ClN3O2
Molecular Weight 289.717
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(6-Chloro-3-ethyl-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile

SMILES

CCN1C(=O)C=C(Cl)N(CC2=C(C=CC=C2)C#N)C1=O

InChI

InChIKey=OLHHKMKGYKDSCX-UHFFFAOYSA-N
InChI=1S/C14H12ClN3O2/c1-2-17-13(19)7-12(15)18(14(17)20)9-11-6-4-3-5-10(11)8-16/h3-7H,2,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H12ClN3O2
Molecular Weight 289.717
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 17:31:40 GMT 2025
Edited
by admin
on Wed Apr 02 17:31:40 GMT 2025
Record UNII
AH6SA576BS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzonitrile, 2-[(6-chloro-3-ethyl-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-
Preferred Name English
2-[(6-Chloro-3-ethyl-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
AH6SA576BS
Created by admin on Wed Apr 02 17:31:40 GMT 2025 , Edited by admin on Wed Apr 02 17:31:40 GMT 2025
PRIMARY
CAS
1430222-06-2
Created by admin on Wed Apr 02 17:31:40 GMT 2025 , Edited by admin on Wed Apr 02 17:31:40 GMT 2025
PRIMARY
PUBCHEM
70306474
Created by admin on Wed Apr 02 17:31:40 GMT 2025 , Edited by admin on Wed Apr 02 17:31:40 GMT 2025
PRIMARY