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Details

Stereochemistry ACHIRAL
Molecular Formula C13H9ClN4O
Molecular Weight 272.69
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Chloro-4-pyrimidinyl)-N-(cyanomethyl)benzamide

SMILES

ClC1=NC=CC(=N1)C2=CC=C(C=C2)C(=O)NCC#N

InChI

InChIKey=BFPFEWDLBZNNJT-UHFFFAOYSA-N
InChI=1S/C13H9ClN4O/c14-13-17-7-5-11(18-13)9-1-3-10(4-2-9)12(19)16-8-6-15/h1-5,7H,8H2,(H,16,19)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-(2-Chloro-4-pyrimidinyl)-N-(cyanomethyl)benzamide
Systematic Name English
4-(2-Chloropyrimidin-4-yl)-N-(cyanomethyl)benzamide
Systematic Name English
Benzamide, 4-(2-chloro-4-pyrimidinyl)-N-(cyanomethyl)-
Systematic Name English
Code System Code Type Description
CAS
1056636-12-4
Created by admin on Sat Dec 16 19:23:08 GMT 2023 , Edited by admin on Sat Dec 16 19:23:08 GMT 2023
PRIMARY
PUBCHEM
86643817
Created by admin on Sat Dec 16 19:23:08 GMT 2023 , Edited by admin on Sat Dec 16 19:23:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID501225969
Created by admin on Sat Dec 16 19:23:08 GMT 2023 , Edited by admin on Sat Dec 16 19:23:08 GMT 2023
PRIMARY
FDA UNII
L5HMS3A4CE
Created by admin on Sat Dec 16 19:23:08 GMT 2023 , Edited by admin on Sat Dec 16 19:23:08 GMT 2023
PRIMARY
NIH
NCATS
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