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2-(4-Chlorophenoxy)-7-cyano-3-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
SpectraBase Compound ID HCUj8rSZ7Nz
InChI InChI=1S/C25H14ClFN4O2/c26-17-6-12-21(13-7-17)33-25-29-22-16(14-28)15-30(19-4-2-1-3-5-19)23(22)24(32)31(25)20-10-8-18(27)9-11-20/h1-13,15H
InChIKey SRABBYLFWYTWEQ-UHFFFAOYSA-N
Mol Weight 456.86 g/mol
Molecular Formula C25H14ClFN4O2
Exact Mass 456.078932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5w9dgfMvVw
Name 2-(4-Chlorophenoxy)-7-cyano-3-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[3,2-d]pyrimidine-4(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H14ClFN4O2
InChI InChI=1S/C25H14ClFN4O2/c26-17-6-12-21(13-7-17)33-25-29-22-16(14-28)15-30(19-4-2-1-3-5-19)23(22)24(32)31(25)20-10-8-18(27)9-11-20/h1-13,15H
InChIKey SRABBYLFWYTWEQ-UHFFFAOYSA-N
Molecular Weight 456.864 g/mol
SMILES c12c(N=C(N(C2=O)c2ccc(cc2)F)Oc2ccc(cc2)Cl)c(C#N)c[n]1-c1ccccc1
SPLASH splash10-05q9-8697700000-57f94f1da7d21e3dbbfc
Source of Spectrum Y-51-E96-6o
Synonyms 2-(4-Chlorophenoxy)-3-(4-fluorophenyl)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
Wiley ID 1742231