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5-Benzylamino-3-cyano-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID 9eiSG0yzqTZ
InChI InChI=1S/C26H19FN6O/c1-17-7-11-21(12-8-17)33-24-23(22(15-28)31-33)30-26(29-16-18-5-3-2-4-6-18)32(25(24)34)20-13-9-19(27)10-14-20/h2-14H,16H2,1H3,(H,29,30)
InChIKey KTZFRNLJIKBGRF-UHFFFAOYSA-N
Mol Weight 450.48 g/mol
Molecular Formula C26H19FN6O
Exact Mass 450.160437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K33yilX94mT
Name 5-Benzylamino-3-cyano-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19FN6O
InChI InChI=1S/C26H19FN6O/c1-17-7-11-21(12-8-17)33-24-23(22(15-28)31-33)30-26(29-16-18-5-3-2-4-6-18)32(25(24)34)20-13-9-19(27)10-14-20/h2-14H,16H2,1H3,(H,29,30)
InChIKey KTZFRNLJIKBGRF-UHFFFAOYSA-N
Molecular Weight 450.477 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)F)Cc1ccccc1
SPLASH splash10-0f79-3900700000-40cbe90deb640afea636
Source of Spectrum F-66-5117-8n
Wiley ID 1683284