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3-Cyano-5-dihexylamino-6-(4-fluorophenyl)-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID G6Pnl4I7XfI
InChI InChI=1S/C31H37FN6O/c1-4-6-8-10-20-36(21-11-9-7-5-2)31-34-28-27(22-33)35-38(26-16-12-23(3)13-17-26)29(28)30(39)37(31)25-18-14-24(32)15-19-25/h12-19H,4-11,20-21H2,1-3H3
InChIKey WGDDMTIENPDCBX-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C31H37FN6O
Exact Mass 528.301288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uAJUA22Nfu
Name 3-Cyano-5-dihexylamino-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 C31H37FN6O
InChI InChI=1S/C31H37FN6O/c1-4-6-8-10-20-36(21-11-9-7-5-2)31-34-28-27(22-33)35-38(26-16-12-23(3)13-17-26)29(28)30(39)37(31)25-18-14-24(32)15-19-25/h12-19H,4-11,20-21H2,1-3H3
InChIKey WGDDMTIENPDCBX-UHFFFAOYSA-N
Molecular Weight 528.676 g/mol
SMILES c12c(N=C(N(C2=O)c2ccc(F)cc2)N(CCCCCC)CCCCCC)c(C#N)n[n]1-c1ccc(cc1)C
SPLASH splash10-05fr-1319120000-6d6ae7928f40b2454472
Source of Spectrum F-66-5119-8J
Wiley ID 1683266