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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N6OS2
Molecular Weight 402.537
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-?6-sulfane

SMILES

C[C@H](N1CCN(CC1)C2=NC=C(C=N2)[S@](C)(=N)=O)C3=CC4=C(SC=N4)C=C3

InChI

InChIKey=TXTPWFHFYWOTSB-JGTBNHKDSA-N
InChI=1S/C18H22N6OS2/c1-13(14-3-4-17-16(9-14)22-12-26-17)23-5-7-24(8-6-23)18-20-10-15(11-21-18)27(2,19)25/h3-4,9-13,19H,5-8H2,1-2H3/t13-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22N6OS2
Molecular Weight 402.537
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:52:38 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:38 GMT 2025
Record UNII
X4JQ9X9RGW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-?6-sulfane
Systematic Name English
Sulfoximine, S-[2-[4-[(1S)-1-(5-benzothiazolyl)ethyl]-1-piperazinyl]-5-pyrimidinyl]-S-methyl-, [S(R)]-
Preferred Name English
Code System Code Type Description
FDA UNII
X4JQ9X9RGW
Created by admin on Wed Apr 02 20:52:38 GMT 2025 , Edited by admin on Wed Apr 02 20:52:38 GMT 2025
PRIMARY
CAS
2243134-27-0
Created by admin on Wed Apr 02 20:52:38 GMT 2025 , Edited by admin on Wed Apr 02 20:52:38 GMT 2025
PRIMARY
PUBCHEM
146414593
Created by admin on Wed Apr 02 20:52:38 GMT 2025 , Edited by admin on Wed Apr 02 20:52:38 GMT 2025
PRIMARY