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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12BrCl2N5O
Molecular Weight 465.131
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-BROMO-1-(3-CHLORO-2-PYRIDINYL)-1H-PYRAZOL-5-YL)-6-CHLORO-3,8-DIMETHYL-4(3H)-QUINAZOLINONE

SMILES

CN1C(=O)C2=C(N=C1C3=CC(Br)=NN3C4=NC=CC=C4Cl)C(C)=CC(Cl)=C2

InChI

InChIKey=QTUSYELSINABSI-UHFFFAOYSA-N
InChI=1S/C18H12BrCl2N5O/c1-9-6-10(20)7-11-15(9)23-17(25(2)18(11)27)13-8-14(19)24-26(13)16-12(21)4-3-5-22-16/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H12BrCl2N5O
Molecular Weight 465.131
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 09:40:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:40:48 GMT 2023
Record UNII
2931G3IF0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-BROMO-1-(3-CHLORO-2-PYRIDINYL)-1H-PYRAZOL-5-YL)-6-CHLORO-3,8-DIMETHYL-4(3H)-QUINAZOLINONE
Systematic Name English
4(3H)-QUINAZOLINONE, 2-(3-BROMO-1-(3-CHLORO-2-PYRIDINYL)-1H-PYRAZOL-5-YL)-6-CHLORO-3,8-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
10115786
Created by admin on Sat Dec 16 09:40:48 GMT 2023 , Edited by admin on Sat Dec 16 09:40:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID60904959
Created by admin on Sat Dec 16 09:40:48 GMT 2023 , Edited by admin on Sat Dec 16 09:40:48 GMT 2023
PRIMARY
CAS
438450-43-2
Created by admin on Sat Dec 16 09:40:48 GMT 2023 , Edited by admin on Sat Dec 16 09:40:48 GMT 2023
PRIMARY
FDA UNII
2931G3IF0V
Created by admin on Sat Dec 16 09:40:48 GMT 2023 , Edited by admin on Sat Dec 16 09:40:48 GMT 2023
PRIMARY