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1-(5-Cyano-6-hydroxy-4-phenylpyrimidin-2-yl)-4-(2-hydroxyethyl)-3-methyl-3-pyrazolin-5-one
SpectraBase Compound ID BDXLnysvfDQ
InChI InChI=1S/C17H15N5O3/c1-10-12(7-8-23)16(25)22(21-10)17-19-14(11-5-3-2-4-6-11)13(9-18)15(24)20-17/h2-6,21,23H,7-8H2,1H3,(H,19,20,24)
InChIKey CEONUEDPWABGLZ-UHFFFAOYSA-N
Mol Weight 337.34 g/mol
Molecular Formula C17H15N5O3
Exact Mass 337.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n3fAcQ1r7C
Name 1-(5-Cyano-6-hydroxy-4-phenylpyrimidin-2-yl)-4-(2-hydroxyethyl)-3-methyl-3-pyrazolin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N5O3
InChI InChI=1S/C17H15N5O3/c1-10-12(7-8-23)16(25)22(21-10)17-19-14(11-5-3-2-4-6-11)13(9-18)15(24)20-17/h2-6,21,23H,7-8H2,1H3,(H,19,20,24)
InChIKey CEONUEDPWABGLZ-UHFFFAOYSA-N
Molecular Weight 337.339 g/mol
SMILES Oc1nc(N2C(C(CCO)=C(N2)C)=O)nc(c1C#N)-c1ccccc1
SPLASH splash10-0ugi-1390000000-9c3f6f8b28559f59c96f
Source of Spectrum EMC-41-162-5
Synonyms 4-Hydroxy-2-(4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-6-phenylpyrimidine-5-carbonitrile 2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile 2-[4-(2-hydroxyethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile
Wiley ID 1734532