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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11F3N4S
Molecular Weight 336.335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-((3-(TRIFLUOROMETHYL)PHENYL)THIO)-2,4-QUINAZOLINEDIAMINE

SMILES

NC1=NC(N)=C2C=C(SC3=CC=CC(=C3)C(F)(F)F)C=CC2=N1

InChI

InChIKey=BFQQHTILCQZRGX-UHFFFAOYSA-N
InChI=1S/C15H11F3N4S/c16-15(17,18)8-2-1-3-9(6-8)23-10-4-5-12-11(7-10)13(19)22-14(20)21-12/h1-7H,(H4,19,20,21,22)

HIDE SMILES / InChI

Molecular Formula C15H11F3N4S
Molecular Weight 336.335
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 Sat Dec 16 12:36:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:36:15 GMT 2023
Record UNII
ZAL3KJ3AZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-((3-(TRIFLUOROMETHYL)PHENYL)THIO)-2,4-QUINAZOLINEDIAMINE
Systematic Name English
NSC-305782
Code English
WR 159,412
Code English
WR-159412
Code English
2,4-QUINAZOLINEDIAMINE, 6-((3-(TRIFLUOROMETHYL)PHENYL)THIO)-
Systematic Name English
Code System Code Type Description
NSC
305782
Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023
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FDA UNII
ZAL3KJ3AZC
Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023
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EPA CompTox
DTXSID00199145
Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023
PRIMARY
CAS
51123-99-0
Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023
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PUBCHEM
100475
Created by admin on Sat Dec 16 12:36:15 GMT 2023 , Edited by admin on Sat Dec 16 12:36:15 GMT 2023
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