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3-Cyano-6-phenyl-5-phenylamino-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 95EhaYQUGb6
InChI InChI=1S/C25H18N6O/c1-17-12-14-20(15-13-17)31-23-22(21(16-26)29-31)28-25(27-18-8-4-2-5-9-18)30(24(23)32)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28)
InChIKey BOFLJWJRAKYRFC-UHFFFAOYSA-N
Mol Weight 418.46 g/mol
Molecular Formula C25H18N6O
Exact Mass 418.154209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhIdnJaDlSs
Name 3-Cyano-6-phenyl-5-phenylamino-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N6O
InChI InChI=1S/C25H18N6O/c1-17-12-14-20(15-13-17)31-23-22(21(16-26)29-31)28-25(27-18-8-4-2-5-9-18)30(24(23)32)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28)
InChIKey BOFLJWJRAKYRFC-UHFFFAOYSA-N
Molecular Weight 418.460 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccccc1)c1ccccc1
SPLASH splash10-014i-1000900000-cce8dd01c09af3920874
Source of Spectrum F-66-5116-8f
Wiley ID 1683292