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4-Amino-6-(4-chlorophenyl)-2-(piperidin-1-yl)pyrimidine-5-carbonitrile
SpectraBase Compound ID DS4H7aWLom0
InChI InChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)14-13(10-18)15(19)21-16(20-14)22-8-2-1-3-9-22/h4-7H,1-3,8-9H2,(H2,19,20,21)
InChIKey NXXIZSAVTQMWFP-UHFFFAOYSA-N
Mol Weight 313.79 g/mol
Molecular Formula C16H16ClN5
Exact Mass 313.109423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p2sM3cOTv4
Name 4-Amino-6-(4-chlorophenyl)-2-(piperidin-1-yl)pyrimidine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClN5
InChI InChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)14-13(10-18)15(19)21-16(20-14)22-8-2-1-3-9-22/h4-7H,1-3,8-9H2,(H2,19,20,21)
InChIKey NXXIZSAVTQMWFP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201300060
Molecular Weight 313.792 g/mol
SMILES Nc1nc(nc(c1C#N)-c1ccc(cc1)Cl)N1CCCCC1
SPLASH splash10-01q9-4089000000-e0e7cd4da64001d1dce7
Source of Spectrum H-97-2275-4n
Wiley ID 1784632