5-(5-{(2S)-1-[4-(Methylsulfonyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-4-pyrimidinamine

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Systematic / IUPAC Name: 5-[5-[(2S)-1-[(4-Methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

ID: Reference10873

Other Names: 4-Pyrimidinamine, 5-[5-[(2S)-1-[[4-(methylsulfonyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-;
NAT18-473426

Formula: C18H20N6O3S

Spectral Data

5-(5-{(2S)-1-[4-(Methylsulfonyl)benzyl]-2-pyrrolidinyl}-1,2,4-oxadiazol-3-yl)-4-pyrimidinamine 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 740
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/20/2021 12:55:10 PM
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Identificators

InChI InChI=1S/C18H20N6O3S/c1-28(25,26)13-6-4-12(5-7-13)10-24-8-2-3-15(24)18-22-17(23-27-18)14-9-20-11-21-16(14)19/h4-7,9,11,15H,2-3,8,10H2,1H3,(H2,19,20,21)/t15-/m0/s1
InChI Key VFUQELCFFPOIDC-HNNXBMFYSA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CN2CCCC2C3=NC(=NO3)C4=CN=CN=C4N
CAS
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Other Names 4-Pyrimidinamine, 5-[5-[(2S)-1-[[4-(methylsulfonyl)phenyl]methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-;
NAT18-473426

In Other Databases

ChemSpider 29858227
PubChem 45783758