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[4-amino-5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-6-piperidin-1-yl-pyrimidin-2-yl]-acetonitrile
SpectraBase Compound ID EwoVC08rCAb
InChI InChI=1S/C22H25N9O/c1-15-18(22(32)31(29(15)2)16-9-5-3-6-10-16)27-28-19-20(24)25-17(11-12-23)26-21(19)30-13-7-4-8-14-30/h3,5-6,9-10H,4,7-8,11,13-14H2,1-2H3,(H2,24,25,26)/b28-27+
InChIKey VDNMEEVAFGFWMQ-BYYHNAKLSA-N
Mol Weight 431.5 g/mol
Molecular Formula C22H25N9O
Exact Mass 431.218206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lYz1cWxXYf
Name [4-amino-5-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-6-piperidin-1-yl-pyrimidin-2-yl]-acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N9O
InChI InChI=1S/C22H25N9O/c1-15-18(22(32)31(29(15)2)16-9-5-3-6-10-16)27-28-19-20(24)25-17(11-12-23)26-21(19)30-13-7-4-8-14-30/h3,5-6,9-10H,4,7-8,11,13-14H2,1-2H3,(H2,24,25,26)/b28-27+
InChIKey VDNMEEVAFGFWMQ-BYYHNAKLSA-N
Molecular Weight 431.504 g/mol
SMILES Nc1nc(nc(c1\N=N\C=1C(N(N(C1C)C)c1ccccc1)=O)N1CCCCC1)CC#N
SPLASH splash10-0aei-9421000000-65b9a6f8464c670cd3cb
Source of Spectrum Y-49-779-16
Wiley ID 1716745