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Details

Stereochemistry ACHIRAL
Molecular Formula C30H18F6N6O2S2
Molecular Weight 672.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-(1-(4-Cyano-3-(trifluoromethyl)phenyl)-3-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

SMILES

CN1C(=S)N(C2=CC=C(C#N)C(=C2)C(F)(F)F)C3=C(C=CC(=C3)N4C(=S)N(C(=O)C4(C)C)C5=CC(=C(C=C5)C#N)C(F)(F)F)C1=O

InChI

InChIKey=SVYXCONIKAIQDV-UHFFFAOYSA-N
InChI=1S/C30H18F6N6O2S2/c1-28(2)25(44)41(18-7-5-16(14-38)22(11-18)30(34,35)36)27(46)42(28)19-8-9-20-23(12-19)40(26(45)39(3)24(20)43)17-6-4-15(13-37)21(10-17)29(31,32)33/h4-12H,1-3H3

HIDE SMILES / InChI

Molecular Formula C30H18F6N6O2S2
Molecular Weight 672.623
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 Wed Apr 02 11:47:27 GMT 2025
Edited
by admin
on Wed Apr 02 11:47:27 GMT 2025
Record UNII
DL8DJ99XBS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-(1-(4-Cyano-3-(trifluoromethyl)phenyl)-3-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Systematic Name English
4-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methyl-4-oxo-2-sulfanylidenequinazolin-1-yl]-2-(trifluoromethyl)benzonitrile
Preferred Name English
Code System Code Type Description
PUBCHEM
138112253
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
FDA UNII
DL8DJ99XBS
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
CAS
2810090-73-2
Created by admin on Wed Apr 02 11:47:27 GMT 2025 , Edited by admin on Wed Apr 02 11:47:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY