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Details

Stereochemistry RACEMIC
Molecular Formula C20H18ClN5O2
Molecular Weight 395.842
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-(2-Amino-5-chloropyrimidin-4-yl)indolin-6-yl)-2-(5-methylisoxazol-3-yl)but-3-yn-2-ol

SMILES

CC1=CC(=NO1)C(C)(O)C#CC2=CC=C3CCN(C3=C2)C4=C(Cl)C=NC(N)=N4

InChI

InChIKey=YZLVZEPJQXFXFT-UHFFFAOYSA-N
InChI=1S/C20H18ClN5O2/c1-12-9-17(25-28-12)20(2,27)7-5-13-3-4-14-6-8-26(16(14)10-13)18-15(21)11-23-19(22)24-18/h3-4,9-11,27H,6,8H2,1-2H3,(H2,22,23,24)

HIDE SMILES / InChI

Molecular Formula C20H18ClN5O2
Molecular Weight 395.842
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:47:03 GMT 2025
Edited
by admin
on Wed Apr 02 05:47:03 GMT 2025
Record UNII
YP9G9CAK8Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(1-(2-Amino-5-chloropyrimidin-4-yl)indolin-6-yl)-2-(5-methylisoxazol-3-yl)but-3-yn-2-ol
Systematic Name English
3-Isoxazolemethanol, ?-[2-[1-(2-amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]ethynyl]-?,5-dimethyl-
Preferred Name English
?-[2-[1-(2-Amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]ethynyl]-?,5-dimethyl-3-isoxazolemethanol
Systematic Name English
Code System Code Type Description
PUBCHEM
58221466
Created by admin on Wed Apr 02 05:47:03 GMT 2025 , Edited by admin on Wed Apr 02 05:47:03 GMT 2025
PRIMARY
FDA UNII
YP9G9CAK8Z
Created by admin on Wed Apr 02 05:47:03 GMT 2025 , Edited by admin on Wed Apr 02 05:47:03 GMT 2025
PRIMARY