Ethyl 2-[3-(4-fluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate

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Systematic / IUPAC Name: Ethyl [3-(4-fluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate

ID: Reference6718

Other Names: GNF-Pf-1213;
Ethyl 2-[3-(4-fluorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl]acetate

Formula: C15H14FN5O3

Spectral Data

Ethyl 2-[3-(4-fluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/14/2017 7:47:38 AM
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Identificators

InChI InChI=1S/C15H14FN5O3/c1-2-24-12(22)8-20-9-17-14-13(15(20)23)18-19-21(14)7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3
InChI Key BJFBCABPIKLABR-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CN1C=NC2=C(C1=O)N=NN2CC3=CC=C(C=C3)F
CAS
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Other Names GNF-Pf-1213;
Ethyl 2-[3-(4-fluorobenzyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl]acetate

In Other Databases

ChemSpider 2092991
ChEMBL CHEMBL602630
PubChem 2814605