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3-Cyano-5-cyclohexylamino-1,6-di(p-tolyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID D4TLuYCkHwc
InChI InChI=1S/C26H26N6O/c1-17-8-12-20(13-9-17)31-25(33)24-23(29-26(31)28-19-6-4-3-5-7-19)22(16-27)30-32(24)21-14-10-18(2)11-15-21/h8-15,19H,3-7H2,1-2H3,(H,28,29)
InChIKey NCRNBBATQRBDPD-UHFFFAOYSA-N
Mol Weight 438.54 g/mol
Molecular Formula C26H26N6O
Exact Mass 438.216809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0xuaJgEEGO
Name 3-Cyano-5-cyclohexylamino-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 C26H26N6O
InChI InChI=1S/C26H26N6O/c1-17-8-12-20(13-9-17)31-25(33)24-23(29-26(31)28-19-6-4-3-5-7-19)22(16-27)30-32(24)21-14-10-18(2)11-15-21/h8-15,19H,3-7H2,1-2H3,(H,28,29)
InChIKey NCRNBBATQRBDPD-UHFFFAOYSA-N
Molecular Weight 438.535 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)C)C1CCCCC1
SPLASH splash10-052r-3109800000-acf0acd990243eee1a93
Source of Spectrum F-66-5118-8v
Wiley ID 1683276