U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H8N4OS
Molecular Weight 244.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(PHENYLAMINO)THIAZOLO(5,4-D)PYRIMIDIN-7(4H)-ONE

SMILES

O=C1N=CNC2=C1N=C(NC3=CC=CC=C3)S2

InChI

InChIKey=JHKAEYVEODNLJO-UHFFFAOYSA-N
InChI=1S/C11H8N4OS/c16-9-8-10(13-6-12-9)17-11(15-8)14-7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,12,13,16)

HIDE SMILES / InChI

Molecular Formula C11H8N4OS
Molecular Weight 244.272
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 Tue Apr 01 20:02:50 GMT 2025
Edited
by admin
on Tue Apr 01 20:02:50 GMT 2025
Record UNII
67XSK7MCD4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-19110
Preferred Name English
2-(PHENYLAMINO)THIAZOLO(5,4-D)PYRIMIDIN-7(4H)-ONE
Systematic Name English
2-ANILINO(1,3)THIAZOLO(5,4-D)PYRIMIDIN-7-OL
Systematic Name English
THIAZOLO(5,4-D)PYRIMIDIN-7(4H)-ONE, 2-(PHENYLAMINO)-
Systematic Name English
THIAZOLO(5,4-D)PYRIMIDIN-7-OL, 2-ANILINO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20202847
Created by admin on Tue Apr 01 20:02:50 GMT 2025 , Edited by admin on Tue Apr 01 20:02:50 GMT 2025
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NSC
19110
Created by admin on Tue Apr 01 20:02:50 GMT 2025 , Edited by admin on Tue Apr 01 20:02:50 GMT 2025
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PUBCHEM
227505
Created by admin on Tue Apr 01 20:02:50 GMT 2025 , Edited by admin on Tue Apr 01 20:02:50 GMT 2025
PRIMARY
FDA UNII
67XSK7MCD4
Created by admin on Tue Apr 01 20:02:50 GMT 2025 , Edited by admin on Tue Apr 01 20:02:50 GMT 2025
PRIMARY
CAS
5444-46-2
Created by admin on Tue Apr 01 20:02:50 GMT 2025 , Edited by admin on Tue Apr 01 20:02:50 GMT 2025
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