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3-(4-Chlorophenyl)-5-(4-morpholinyl)-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID IioFmNpesej
InChI InChI=1S/C20H17ClN6O2/c21-14-6-8-16(9-7-14)27-18-17(23-24-27)19(28)26(15-4-2-1-3-5-15)20(22-18)25-10-12-29-13-11-25/h1-9H,10-13H2
InChIKey XISYJMFFDVWRIE-UHFFFAOYSA-N
Mol Weight 408.85 g/mol
Molecular Formula C20H17ClN6O2
Exact Mass 408.110152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hTcNNJFFg
Name 3-(4-Chlorophenyl)-5-(4-morpholinyl)-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN6O2
InChI InChI=1S/C20H17ClN6O2/c21-14-6-8-16(9-7-14)27-18-17(23-24-27)19(28)26(15-4-2-1-3-5-15)20(22-18)25-10-12-29-13-11-25/h1-9H,10-13H2
InChIKey XISYJMFFDVWRIE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 408.849 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)N1CCOCC1
SPLASH splash10-056r-5103900000-0044ac3e0bd42490c506
Source of Spectrum CJC-29-992-4g
Synonyms 3-(4-Chlorophenyl)-5-morpholino-6-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Wiley ID 1772573