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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10ClN3O3S
Molecular Weight 311.744
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1(2H)-PYRIMIDINEACETAMIDE, 6-(5-CHLORO-2-HYDROXYPHENYL)-3,4-DIHYDRO-4-OXO-2-THIOXO-

SMILES

NC(=O)CN1C(=S)NC(=O)C=C1C2=CC(Cl)=CC=C2O

InChI

InChIKey=GYWWGIAWPVXRJS-UHFFFAOYSA-N
InChI=1S/C12H10ClN3O3S/c13-6-1-2-9(17)7(3-6)8-4-11(19)15-12(20)16(8)5-10(14)18/h1-4,17H,5H2,(H2,14,18)(H,15,19,20)

HIDE SMILES / InChI

Molecular Formula C12H10ClN3O3S
Molecular Weight 311.744
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 16:33:02 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:02 UTC 2023
Record UNII
P2I5S70N77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1(2H)-PYRIMIDINEACETAMIDE, 6-(5-CHLORO-2-HYDROXYPHENYL)-3,4-DIHYDRO-4-OXO-2-THIOXO-
Systematic Name English
PF-06282999 METABOLITE M2
Common Name English
Code System Code Type Description
FDA UNII
P2I5S70N77
Created by admin on Sat Dec 16 16:33:02 UTC 2023 , Edited by admin on Sat Dec 16 16:33:02 UTC 2023
PRIMARY
PUBCHEM
89557104
Created by admin on Sat Dec 16 16:33:02 UTC 2023 , Edited by admin on Sat Dec 16 16:33:02 UTC 2023
PRIMARY
CAS
1435471-72-9
Created by admin on Sat Dec 16 16:33:02 UTC 2023 , Edited by admin on Sat Dec 16 16:33:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Metabolite was observed in liver microsomes and hepatocytes from preclinical species and humans.
TRACE