3-{[4-(2-Pyrimidinyl)piperazino]carbonyl}-2-pyrazinecarboxylic acid

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Systematic / IUPAC Name: 3-{[4-(2-Pyrimidinyl)-1-piperazinyl]carbonyl}-2-pyrazinecarboxylic acid

ID: Reference6543

Other Names: 2-Pyrazinecarboxylic acid, 3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}-

Formula: C14H14N6O3

Spectral Data

3-{[4-(2-Pyrimidinyl)piperazino]carbonyl}-2-pyrazinecarboxylic acid 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1234
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/7/2017 10:46:40 AM
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Identificators

InChI InChI=1S/C14H14N6O3/c21-12(10-11(13(22)23)16-5-4-15-10)19-6-8-20(9-7-19)14-17-2-1-3-18-14/h1-5H,6-9H2,(H,22,23)
InChI Key XPISXYHLURFLHL-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1C2=NC=CC=N2)C(=O)C3=NC=CN=C3C(=O)O
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Other Names 2-Pyrazinecarboxylic acid, 3-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}-

In Other Databases

PubChem 2815241
ChemSpider 2093607