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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N4S3
Molecular Weight 444.68
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((3-(2-((2-(Dimethylamino)ethyl)thio)-6-(thiophen-2-yl)pyrimidin-4-yl)phenyl)thio)-N,N-dimethylethanamine

SMILES

CN(C)CCSC1=CC(=CC=C1)C2=CC(=NC(SCCN(C)C)=N2)C3=CC=CS3

InChI

InChIKey=RKFHFYNMFSADFC-UHFFFAOYSA-N
InChI=1S/C22H28N4S3/c1-25(2)10-13-27-18-8-5-7-17(15-18)19-16-20(21-9-6-12-28-21)24-22(23-19)29-14-11-26(3)4/h5-9,12,15-16H,10-11,13-14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H28N4S3
Molecular Weight 444.68
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 19:40:04 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:04 GMT 2025
Record UNII
TQ3X2UB8CA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((3-(2-((2-(Dimethylamino)ethyl)thio)-6-(thiophen-2-yl)pyrimidin-4-yl)phenyl)thio)-N,N-dimethylethanamine
Systematic Name English
NSC-619009
Preferred Name English
2-[[4-[3-[[2-(Dimethylamino)ethyl]thio]phenyl]-6-(2-thienyl)-2-pyrimidinyl]thio]-N,N-dimethylethanamine
Systematic Name English
ETHANAMINE, 2-((4-(3-((2-(DIMETHYLAMINO)ETHYL)THIO)PHENYL)-6-(2-THIENYL)-2-PYRIMIDINYL)THIO)-N,N-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
TQ3X2UB8CA
Created by admin on Tue Apr 01 19:40:04 GMT 2025 , Edited by admin on Tue Apr 01 19:40:04 GMT 2025
PRIMARY
NSC
619009
Created by admin on Tue Apr 01 19:40:04 GMT 2025 , Edited by admin on Tue Apr 01 19:40:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID10926323
Created by admin on Tue Apr 01 19:40:04 GMT 2025 , Edited by admin on Tue Apr 01 19:40:04 GMT 2025
PRIMARY
CAS
129224-86-8
Created by admin on Tue Apr 01 19:40:04 GMT 2025 , Edited by admin on Tue Apr 01 19:40:04 GMT 2025
PRIMARY
PUBCHEM
358882
Created by admin on Tue Apr 01 19:40:04 GMT 2025 , Edited by admin on Tue Apr 01 19:40:04 GMT 2025
PRIMARY