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Details

Stereochemistry ACHIRAL
Molecular Formula C25H24ClN5O4S
Molecular Weight 526.007
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(6-CHLORO-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-4-(1,1-DIMETHYLETHYL)BENZENESULFONAMIDE

SMILES

COC1=C(OC2=C(Cl)N=C(N=C2NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4)C=CC=C1

InChI

InChIKey=XKISWHVJIZSPSC-UHFFFAOYSA-N
InChI=1S/C25H24ClN5O4S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23/h5-15H,1-4H3,(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C25H24ClN5O4S
Molecular Weight 526.007
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 Mon Mar 31 23:35:17 GMT 2025
Edited
by admin
on Mon Mar 31 23:35:17 GMT 2025
Record UNII
6ZB6RG7BMX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(6-CHLORO-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-4-(1,1-DIMETHYLETHYL)BENZENESULFONAMIDE
Systematic Name English
BENZENESULFONAMIDE, N-(6-CHLORO-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)-4-(1,1-DIMETHYLETHYL)-
Preferred Name English
Code System Code Type Description
PUBCHEM
11135160
Created by admin on Mon Mar 31 23:35:17 GMT 2025 , Edited by admin on Mon Mar 31 23:35:17 GMT 2025
PRIMARY
CAS
150727-06-3
Created by admin on Mon Mar 31 23:35:17 GMT 2025 , Edited by admin on Mon Mar 31 23:35:17 GMT 2025
PRIMARY
FDA UNII
6ZB6RG7BMX
Created by admin on Mon Mar 31 23:35:17 GMT 2025 , Edited by admin on Mon Mar 31 23:35:17 GMT 2025
PRIMARY
RS_ITEM_NUM
1076126
Created by admin on Mon Mar 31 23:35:17 GMT 2025 , Edited by admin on Mon Mar 31 23:35:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID80456425
Created by admin on Mon Mar 31 23:35:17 GMT 2025 , Edited by admin on Mon Mar 31 23:35:17 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY