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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N2S
Molecular Weight 180.27
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGN-201781

SMILES

S=C1NC=C(CC2CC=CC2)N1

InChI

InChIKey=FOOHYFUHXGIXNK-UHFFFAOYSA-N
InChI=1S/C9H12N2S/c12-9-10-6-8(11-9)5-7-3-1-2-4-7/h1-2,6-7H,3-5H2,(H2,10,11,12)

HIDE SMILES / InChI

Molecular Formula C9H12N2S
Molecular Weight 180.27
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 18:10:06 GMT 2025
Edited
by admin
on Mon Mar 31 18:10:06 GMT 2025
Record UNII
3K6DN6EM76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGN 201781
Preferred Name English
AGN-201781
Code English
Code System Code Type Description
PUBCHEM
9815415
Created by admin on Mon Mar 31 18:10:06 GMT 2025 , Edited by admin on Mon Mar 31 18:10:06 GMT 2025
PRIMARY
CAS
628730-30-3
Created by admin on Mon Mar 31 18:10:06 GMT 2025 , Edited by admin on Mon Mar 31 18:10:06 GMT 2025
PRIMARY
FDA UNII
3K6DN6EM76
Created by admin on Mon Mar 31 18:10:06 GMT 2025 , Edited by admin on Mon Mar 31 18:10:06 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY