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3,6-Dihydro-3-(4-chlorophenyl)-6-(3-methylphenyl)-5-phenoxy-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 65X341laDup
InChI InChI=1S/C23H16ClN5O2/c1-15-6-5-7-18(14-15)28-22(30)20-21(25-23(28)31-19-8-3-2-4-9-19)29(27-26-20)17-12-10-16(24)11-13-17/h2-14H,1H3
InChIKey LAILMVRWMYNCSX-UHFFFAOYSA-N
Mol Weight 429.87 g/mol
Molecular Formula C23H16ClN5O2
Exact Mass 429.099252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69i94Q3e0g3
Name 3,6-Dihydro-3-(4-chlorophenyl)-6-(3-methylphenyl)-5-phenoxy-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16ClN5O2
InChI InChI=1S/C23H16ClN5O2/c1-15-6-5-7-18(14-15)28-22(30)20-21(25-23(28)31-19-8-3-2-4-9-19)29(27-26-20)17-12-10-16(24)11-13-17/h2-14H,1H3
InChIKey LAILMVRWMYNCSX-UHFFFAOYSA-N
Molecular Weight 429.867 g/mol
SMILES C1(=Nc2c(C(N1c1cc(ccc1)C)=O)nn[n]2-c1ccc(cc1)Cl)Oc1ccccc1
SPLASH splash10-004i-9200100000-886a816fd95c09a50f74
Source of Spectrum F4-0-2548-4
Synonyms 3-(4-Chlorophenyl)-6-(3-methylphenyl)-5-phenoxy-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Wiley ID 1618711