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Details

Stereochemistry ACHIRAL
Molecular Formula C23H39N7S
Molecular Weight 445.668
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABT-127 FREE BASE

SMILES

CN1C(C)=NN=C1SCCCN2CCN(CC2)C3=CC(=NC(=N3)C(C)(C)C)C(C)(C)C

InChI

InChIKey=HDGITSHIVRTFPZ-UHFFFAOYSA-N
InChI=1S/C23H39N7S/c1-17-26-27-21(28(17)8)31-15-9-10-29-11-13-30(14-12-29)19-16-18(22(2,3)4)24-20(25-19)23(5,6)7/h16H,9-15H2,1-8H3

HIDE SMILES / InChI

Molecular Formula C23H39N7S
Molecular Weight 445.668
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 21:08:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:08:11 GMT 2025
Record UNII
A6XE6RZB75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TERT-BUTYL-4-(4-(3-((4-METHYL-5-METHYL-4H-(1,2,4)TRIAZOL-3-YL)SULFANYL)PROPYL)PIPERAZIN-1-YL)-6-TERT-BUTYLPYRIMIDINE
Preferred Name English
ABT-127 FREE BASE
Code English
PYRIMIDINE, 1,2-BIS(1,1-DIMETHYLETHYL)-4-(4-(3-((4,5-DIMETHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)PROPYL)-1-PIPERAZINYL)-1,2-DIHYDRO-
Systematic Name English
Code System Code Type Description
FDA UNII
A6XE6RZB75
Created by admin on Mon Mar 31 21:08:11 GMT 2025 , Edited by admin on Mon Mar 31 21:08:11 GMT 2025
PRIMARY
CAS
803682-75-9
Created by admin on Mon Mar 31 21:08:11 GMT 2025 , Edited by admin on Mon Mar 31 21:08:11 GMT 2025
PRIMARY
PUBCHEM
11430732
Created by admin on Mon Mar 31 21:08:11 GMT 2025 , Edited by admin on Mon Mar 31 21:08:11 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY