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5-(n-Butoxy)-3-(4-chlorophenyl)-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 3g6Jwoz3pFG
InChI InChI=1S/C20H18ClN5O2/c1-2-3-13-28-20-22-18-17(19(27)25(20)15-7-5-4-6-8-15)23-24-26(18)16-11-9-14(21)10-12-16/h4-12H,2-3,13H2,1H3
InChIKey RHAXHAFWCLEPFB-UHFFFAOYSA-N
Mol Weight 395.85 g/mol
Molecular Formula C20H18ClN5O2
Exact Mass 395.114903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FA8haZhrPeN
Name 5-(n-Butoxy)-3-(4-chlorophenyl)-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 C20H18ClN5O2
InChI InChI=1S/C20H18ClN5O2/c1-2-3-13-28-20-22-18-17(19(27)25(20)15-7-5-4-6-8-15)23-24-26(18)16-11-9-14(21)10-12-16/h4-12H,2-3,13H2,1H3
InChIKey RHAXHAFWCLEPFB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 395.850 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)OCCCC
SPLASH splash10-0002-0019000000-57518f83579713c1d107
Source of Spectrum CJC-29-992-4k
Synonyms 5-Butoxy-3-(4-chlorophenyl)-6-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Wiley ID 1772577