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Details

Stereochemistry ACHIRAL
Molecular Formula C22H30N6S3
Molecular Weight 474.709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [2-({4-[5-(2-{[2-(dimethylamino)ethyl]sulfanyl}-5-methylpyrimidin-4-yl)thiophen-2-yl]-5-methylpyrimidin-2-yl}sulfanyl)ethyl]dimethylamine

SMILES

CN(C)CCSC1=NC(C2=CC=C(S2)C3=NC(SCCN(C)C)=NC=C3C)=C(C)C=N1

InChI

InChIKey=IVXSFLLHQDZPEH-UHFFFAOYSA-N
InChI=1S/C22H30N6S3/c1-15-13-23-21(29-11-9-27(3)4)25-19(15)17-7-8-18(31-17)20-16(2)14-24-22(26-20)30-12-10-28(5)6/h7-8,13-14H,9-12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C22H30N6S3
Molecular Weight 474.709
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 19:45:02 GMT 2025
Edited
by admin
on Tue Apr 01 19:45:02 GMT 2025
Record UNII
HJ76Z2SBM3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-619008
Preferred Name English
[2-({4-[5-(2-{[2-(dimethylamino)ethyl]sulfanyl}-5-methylpyrimidin-4-yl)thiophen-2-yl]-5-methylpyrimidin-2-yl}sulfanyl)ethyl]dimethylamine
Systematic Name English
ETHANAMINE, 2,2'-[2,5-THIOPHENEDIYLBIS[(5-METHYL-4,2-PYRIMIDINEDIYL)THIO]]BIS[N,N-DIMETHYL
Systematic Name English
2,5-BIS(2'-((2''-(DI METHYLAMINO)ETHYL)THIO)-5'-METHYLPYRIMIDIN-4'-YL)THIOPHENE
Common Name English
Code System Code Type Description
FDA UNII
HJ76Z2SBM3
Created by admin on Tue Apr 01 19:45:02 GMT 2025 , Edited by admin on Tue Apr 01 19:45:02 GMT 2025
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EPA CompTox
DTXSID60157029
Created by admin on Tue Apr 01 19:45:02 GMT 2025 , Edited by admin on Tue Apr 01 19:45:02 GMT 2025
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CAS
131407-82-4
Created by admin on Tue Apr 01 19:45:02 GMT 2025 , Edited by admin on Tue Apr 01 19:45:02 GMT 2025
PRIMARY
PUBCHEM
358881
Created by admin on Tue Apr 01 19:45:02 GMT 2025 , Edited by admin on Tue Apr 01 19:45:02 GMT 2025
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NSC
619008
Created by admin on Tue Apr 01 19:45:02 GMT 2025 , Edited by admin on Tue Apr 01 19:45:02 GMT 2025
PRIMARY