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3-(4-Chlorophenyl)-5-methoxy-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID wuWNXfP1Ey
InChI InChI=1S/C17H12ClN5O2/c1-25-17-19-15-14(16(24)22(17)12-5-3-2-4-6-12)20-21-23(15)13-9-7-11(18)8-10-13/h2-10H,1H3
InChIKey LUKOYGSFXUNENG-UHFFFAOYSA-N
Mol Weight 353.77 g/mol
Molecular Formula C17H12ClN5O2
Exact Mass 353.067952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Uvo6JCKq3L
Name 3-(4-Chlorophenyl)-5-methoxy-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 C17H12ClN5O2
InChI InChI=1S/C17H12ClN5O2/c1-25-17-19-15-14(16(24)22(17)12-5-3-2-4-6-12)20-21-23(15)13-9-7-11(18)8-10-13/h2-10H,1H3
InChIKey LUKOYGSFXUNENG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 353.769 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)OC
SPLASH splash10-0udu-4309000000-55e3310a88ad8d4d6304
Source of Spectrum CJC-29-992-4h
Synonyms 3-(4-Chlorophenyl)-5-methoxy-6-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Wiley ID 1772574