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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H26N4S
Molecular Weight 414.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[[2-(4-Methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)phthalazine

SMILES

CN1CCN(CCSC2=C3C=CC=CC3=C(N=N2)C4=CC=C5C=CC=CC5=C4)CC1

InChI

InChIKey=HBTISEKVLOETMJ-UHFFFAOYSA-N
InChI=1S/C25H26N4S/c1-28-12-14-29(15-13-28)16-17-30-25-23-9-5-4-8-22(23)24(26-27-25)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3

HIDE SMILES / InChI

Molecular Formula C25H26N4S
Molecular Weight 414.566
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 20:26:24 GMT 2025
Edited
by admin
on Tue Apr 01 20:26:24 GMT 2025
Record UNII
EYX89CFQ8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-619017
Preferred Name English
1-[[2-(4-Methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)phthalazine
Systematic Name English
PHTHALAZINE, 1-((2-(4-METHYL-1-PIPERAZINYL)ETHYL)THIO)-4-(2-NAPHTHALENYL)-
Systematic Name English
Code System Code Type Description
CAS
129224-80-2
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
NSC
619017
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
FDA UNII
EYX89CFQ8F
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
PUBCHEM
358888
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID10156103
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY