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5-tert-Butylamino-3-cyano-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID r8wBRcmUSV
InChI InChI=1S/C23H22N6O/c1-15-10-12-17(13-11-15)29-20-19(18(14-24)27-29)25-22(26-23(2,3)4)28(21(20)30)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,25,26)
InChIKey GVLUFFHZVQNVAJ-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C23H22N6O
Exact Mass 398.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbgghLhGTw9
Name 5-tert-Butylamino-3-cyano-6-phenyl-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6O
InChI InChI=1S/C23H22N6O/c1-15-10-12-17(13-11-15)29-20-19(18(14-24)27-29)25-22(26-23(2,3)4)28(21(20)30)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,25,26)
InChIKey GVLUFFHZVQNVAJ-UHFFFAOYSA-N
Molecular Weight 398.470 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccccc1)C(C)(C)C
SPLASH splash10-0006-4109000000-cf5b19714143148f5ed6
Source of Spectrum F-66-5116-8d
Wiley ID 1683294