2-Chloro-6-(trifluoromethyl)-9H-purine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H2ClF3N4
Molecular Weight	222.555
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Chloro-6-(trifluoromethyl)-9H-purine

Structure Search

SMILES

FC(F)(F)C1=C2N=CNC2=NC(Cl)=N1

InChI

InChIKey=LTDVDSQMYOWJEV-UHFFFAOYSA-N

InChI=1S/C6H2ClF3N4/c7-5-13-3(6(8,9)10)2-4(14-5)12-1-11-2/h1H,(H,11,12,13,14)

HIDE SMILES / InChI

Molecular Formula	C6H2ClF3N4
Molecular Weight	222.555
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 19:49:00 GMT 2025` Edited by `admin` on `Tue Apr 01 19:49:00 GMT 2025`
Record UNII	V625F8T7A5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Chloro-6-(trifluoromethyl)-9H-purine

Systematic Name

English

NSC-57028

Preferred Name

English

9H-Purine, 2-chloro-6-(trifluoromethyl)-

Systematic Name

English

Code System Code Type Description

CAS

1998-64-7

Created by admin on Tue Apr 01 19:49:00 GMT 2025 , Edited by admin on Tue Apr 01 19:49:00 GMT 2025

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NSC

57028

Created by admin on Tue Apr 01 19:49:00 GMT 2025 , Edited by admin on Tue Apr 01 19:49:00 GMT 2025

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PUBCHEM

5462984

Created by admin on Tue Apr 01 19:49:00 GMT 2025 , Edited by admin on Tue Apr 01 19:49:00 GMT 2025

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EPA CompTox

DTXSID90173777

Created by admin on Tue Apr 01 19:49:00 GMT 2025 , Edited by admin on Tue Apr 01 19:49:00 GMT 2025

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FDA UNII

V625F8T7A5

Created by admin on Tue Apr 01 19:49:00 GMT 2025 , Edited by admin on Tue Apr 01 19:49:00 GMT 2025

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