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4-(4-Bromophenyl)-2-[3(2H)-oxo-5-phenyl-2-pyrazolyl]-6-phenylpyrimidine
SpectraBase Compound ID 4wRPeRIJE1l
InChI InChI=1S/C25H17BrN4O/c26-20-13-11-19(12-14-20)22-15-21(17-7-3-1-4-8-17)27-25(28-22)30-24(31)16-23(29-30)18-9-5-2-6-10-18/h1-16,29H
InChIKey NXWAUEVYBBWKAJ-UHFFFAOYSA-N
Mol Weight 469.34 g/mol
Molecular Formula C25H17BrN4O
Exact Mass 468.058574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cr7b412Rbxw
Name 4-(4-Bromophenyl)-2-[3(2H)-oxo-5-phenyl-2-pyrazolyl]-6-phenylpyrimidine
Alternate Name(s) 2-[4-(4-Bromophenyl)-6-phenyl-2-pyrimidinyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one 2-[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one 2-[4-(4-bromophenyl)-6-phenyl-2-pyrimidinyl]-5-phenyl-1H-pyrazol-3-one 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-1H-pyrazol-3-one 2-[4-(4-bromophenyl)-6-phenyl-pyrimidin-2-yl]-5-phenyl-3-pyrazolin-3-one
CAS Registry Number 327097-90-5
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17BrN4O
InChI InChI=1S/C25H17BrN4O/c26-20-13-11-19(12-14-20)22-15-21(17-7-3-1-4-8-17)27-25(28-22)30-24(31)16-23(29-30)18-9-5-2-6-10-18/h1-16,29H
InChIKey NXWAUEVYBBWKAJ-UHFFFAOYSA-N
Molecular Weight 469.342 g/mol
SMILES N1C(=CC(N1c1nc(cc(n1)-c1ccc(cc1)Br)-c1ccccc1)=O)c1ccccc1
SPLASH splash10-0ufr-9610100000-bb8ed23edce8d5a6a0b1
Wiley ID 1469207