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5-Benzylamino-3-cyano-1,6-di(p-tolyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID HDnIxigbm1e
InChI InChI=1S/C27H22N6O/c1-18-8-12-21(13-9-18)32-26(34)25-24(30-27(32)29-17-20-6-4-3-5-7-20)23(16-28)31-33(25)22-14-10-19(2)11-15-22/h3-15H,17H2,1-2H3,(H,29,30)
InChIKey LAVOECQQLYYYGX-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C27H22N6O
Exact Mass 446.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvbHjBGMxGr
Name 5-Benzylamino-3-cyano-1,6-di(p-tolyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N6O
InChI InChI=1S/C27H22N6O/c1-18-8-12-21(13-9-18)32-26(34)25-24(30-27(32)29-17-20-6-4-3-5-7-20)23(16-28)31-33(25)22-14-10-19(2)11-15-22/h3-15H,17H2,1-2H3,(H,29,30)
InChIKey LAVOECQQLYYYGX-UHFFFAOYSA-N
Molecular Weight 446.514 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(C)cc1)=O)c1ccc(cc1)C)Cc1ccccc1
SPLASH splash10-000t-5900800000-95ad135732aede50a55c
Source of Spectrum F-66-5117-8s
Wiley ID 1683279