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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12ClN3O
Molecular Weight 261.707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CI-953 FREE BASE

SMILES

CC1=C(NC(=O)NC2=CC=NC=C2)C(Cl)=CC=C1

InChI

InChIKey=ZSBWDKCIIZYQIR-UHFFFAOYSA-N
InChI=1S/C13H12ClN3O/c1-9-3-2-4-11(14)12(9)17-13(18)16-10-5-7-15-8-6-10/h2-8H,1H3,(H2,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C13H12ClN3O
Molecular Weight 261.707
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 Sat Dec 16 13:45:21 UTC 2023
Edited
by admin
on Sat Dec 16 13:45:21 UTC 2023
Record UNII
PJ3RY2G8I8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-953 FREE BASE
Common Name English
UREA, N-(2-CHLORO-6-METHYLPHENYL)-N'-4-PYRIDINYL-
Systematic Name English
N-(2-CHLORO-6-METHYLPHENYL)-N'-4-PYRIDINYLUREA
Systematic Name English
Code System Code Type Description
FDA UNII
PJ3RY2G8I8
Created by admin on Sat Dec 16 13:45:21 UTC 2023 , Edited by admin on Sat Dec 16 13:45:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID10276315
Created by admin on Sat Dec 16 13:45:21 UTC 2023 , Edited by admin on Sat Dec 16 13:45:21 UTC 2023
PRIMARY
CAS
97627-24-2
Created by admin on Sat Dec 16 13:45:21 UTC 2023 , Edited by admin on Sat Dec 16 13:45:21 UTC 2023
PRIMARY
PUBCHEM
130178
Created by admin on Sat Dec 16 13:45:21 UTC 2023 , Edited by admin on Sat Dec 16 13:45:21 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT