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Details

Stereochemistry ACHIRAL
Molecular Formula C19H14F6N4
Molecular Weight 412.3317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-(TRIFLUOROMETHYL)PHENYL)-6-((3-(TRIFLUOROMETHYL)PHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE

SMILES

NC1=NC(CC2=CC(=CC=C2)C(F)(F)F)=C(C(N)=N1)C3=CC(=CC=C3)C(F)(F)F

InChI

InChIKey=CQCYWCWYOWSXIW-UHFFFAOYSA-N
InChI=1S/C19H14F6N4/c20-18(21,22)12-5-1-3-10(7-12)8-14-15(16(26)29-17(27)28-14)11-4-2-6-13(9-11)19(23,24)25/h1-7,9H,8H2,(H4,26,27,28,29)

HIDE SMILES / InChI

Molecular Formula C19H14F6N4
Molecular Weight 412.3317
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 18:29:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:29:32 GMT 2023
Record UNII
E9FC25LPB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(3-(TRIFLUOROMETHYL)PHENYL)-6-((3-(TRIFLUOROMETHYL)PHENYL)METHYL)-2,4-PYRIMIDINEDIAMINE
Systematic Name English
NSC-71669
Code English
2,4-PYRIMIDINEDIAMINE, 5-(3-(TRIFLUOROMETHYL)PHENYL)-6-((3-(TRIFLUOROMETHYL)PHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
NSC
71669
Created by admin on Sat Dec 16 18:29:32 GMT 2023 , Edited by admin on Sat Dec 16 18:29:32 GMT 2023
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FDA UNII
E9FC25LPB6
Created by admin on Sat Dec 16 18:29:32 GMT 2023 , Edited by admin on Sat Dec 16 18:29:32 GMT 2023
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PUBCHEM
415629
Created by admin on Sat Dec 16 18:29:32 GMT 2023 , Edited by admin on Sat Dec 16 18:29:32 GMT 2023
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CAS
1548-91-0
Created by admin on Sat Dec 16 18:29:32 GMT 2023 , Edited by admin on Sat Dec 16 18:29:32 GMT 2023
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EPA CompTox
DTXSID80165722
Created by admin on Sat Dec 16 18:29:32 GMT 2023 , Edited by admin on Sat Dec 16 18:29:32 GMT 2023
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