5-(5-{5-[(2S)-1-(2-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)pyrimidine

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Systematic / IUPAC Name: 5-[(2S)-1-(Pyridin-2-ylmethyl)pyrrolidin-2-yl]-3-(6-pyrimidin-5-ylpyridin-3-yl)-1,2,4-oxadiazole

ID: Reference10026

Other Names: Pyrimidine, 5-[5-[5-[(2S)-1-(2-pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-;
NAT18-440350

Formula: C21H19N7O

Spectral Data

5-(5-{5-[(2S)-1-(2-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)pyrimidine 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 Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 559
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2020 12:06:33 PM
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Identificators

InChI InChI=1S/C21H19N7O/c1-2-8-24-17(4-1)13-28-9-3-5-19(28)21-26-20(27-29-21)15-6-7-18(25-12-15)16-10-22-14-23-11-16/h1-2,4,6-8,10-12,14,19H,3,5,9,13H2/t19-/m0/s1
InChI Key ROJNSLUPWORAKC-IBGZPJMESA-N
Canonical SMILES C1CC(N(C1)CC2=CC=CC=N2)C3=NC(=NO3)C4=CN=C(C=C4)C5=CN=CN=C5
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Other Names Pyrimidine, 5-[5-[5-[(2S)-1-(2-pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-;
NAT18-440350

In Other Databases

ChemSpider 29858109
PubChem 51136912