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3-(4-Chlorophenyl)-6-phenyl-5-(1-piperidinyl)-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID FjCwqdlYhX5
InChI InChI=1S/C21H19ClN6O/c22-15-9-11-17(12-10-15)28-19-18(24-25-28)20(29)27(16-7-3-1-4-8-16)21(23-19)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-14H2
InChIKey ZJPXZUSDIYSHRQ-UHFFFAOYSA-N
Mol Weight 406.88 g/mol
Molecular Formula C21H19ClN6O
Exact Mass 406.130887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nFRrcs0Vk
Name 3-(4-Chlorophenyl)-6-phenyl-5-(1-piperidinyl)-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Alternate Name(s) 3-(4-Chlorophenyl)-6-phenyl-5-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN6O
InChI InChI=1S/C21H19ClN6O/c22-15-9-11-17(12-10-15)28-19-18(24-25-28)20(29)27(16-7-3-1-4-8-16)21(23-19)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-14H2
InChIKey ZJPXZUSDIYSHRQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 406.877 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)N1CCCCC1
SPLASH splash10-0a6r-4014900000-8ac67a20d1381f3acb46
Source of Spectrum CJC-29-992-4f
Wiley ID 1772572