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2-[6-amino-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-pyrimidin-4-yl]oxyethanol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[6-amino-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-pyrimidin-4-yl]oxyethanol
SpectraBase Compound ID G7GRgsAuKvl
InChI InChI=1S/C20H16N6O5/c21-16-15(19(30-10-9-27)23-17(22-16)12-5-2-1-3-6-12)20-24-18(25-31-20)13-7-4-8-14(11-13)26(28)29/h1-8,11,27H,9-10H2,(H2,21,22,23)
InChIKey MRTAVCIAFDTRHB-UHFFFAOYSA-N
Mol Weight 420.39 g/mol
Molecular Formula C20H16N6O5
Exact Mass 420.118218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8mft5C3Otl
Name 2-[6-amino-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-pyrimidin-4-yl]oxyethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N6O5
InChI InChI=1S/C20H16N6O5/c21-16-15(19(30-10-9-27)23-17(22-16)12-5-2-1-3-6-12)20-24-18(25-31-20)13-7-4-8-14(11-13)26(28)29/h1-8,11,27H,9-10H2,(H2,21,22,23)
InChIKey MRTAVCIAFDTRHB-UHFFFAOYSA-N
Molecular Weight 420.385 g/mol
SMILES OCCOc1nc(nc(c1-c1nc(-c2cc(N(=O)=O)ccc2)no1)N)-c1ccccc1
SPLASH splash10-0h03-9657100000-7e3968a8b192b5ed3276
Source of Spectrum Y-33-1947-11
Synonyms 2-[6-azanyl-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-pyrimidin-4-yl]oxyethanol 2-[[6-amino-5-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-4-pyrimidinyl]oxy]ethanol
Wiley ID 1377833