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3-(4-Chlorophenyl)-6-phenyl-5-(prop-2-yn-1-yloxy)-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 4Z43zYlDhUe
InChI InChI=1S/C19H12ClN5O2/c1-2-12-27-19-21-17-16(18(26)24(19)14-6-4-3-5-7-14)22-23-25(17)15-10-8-13(20)9-11-15/h1,3-11H,12H2
InChIKey QMOGVLGEOXDTLB-UHFFFAOYSA-N
Mol Weight 377.79 g/mol
Molecular Formula C19H12ClN5O2
Exact Mass 377.067952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B69guqQWfFz
Name 3-(4-Chlorophenyl)-6-phenyl-5-(prop-2-yn-1-yloxy)-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 C19H12ClN5O2
InChI InChI=1S/C19H12ClN5O2/c1-2-12-27-19-21-17-16(18(26)24(19)14-6-4-3-5-7-14)22-23-25(17)15-10-8-13(20)9-11-15/h1,3-11H,12H2
InChIKey QMOGVLGEOXDTLB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 377.791 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)OCC#C
SPLASH splash10-000i-9003000000-ab5f5fb5a42a77eaea8b
Source of Spectrum CJC-29-993-4m
Synonyms 3-(4-Chlorophenyl)-6-phenyl-5-(prop-2-yn-1-yloxy)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Wiley ID 1772579