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3-(4-Chlorophenyl)-5-di(iso-butyl)amino-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 2SEdss0D7hV
InChI InChI=1S/C24H27ClN6O/c1-16(2)14-29(15-17(3)4)24-26-22-21(23(32)30(24)19-8-6-5-7-9-19)27-28-31(22)20-12-10-18(25)11-13-20/h5-13,16-17H,14-15H2,1-4H3
InChIKey IXHRVWSGZAWZBL-UHFFFAOYSA-N
Mol Weight 450.97 g/mol
Molecular Formula C24H27ClN6O
Exact Mass 450.193487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAbqc9qMOSH
Name 3-(4-Chlorophenyl)-5-di(iso-butyl)amino-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Alternate Name(s) 3-(4-Chlorophenyl)-5-(diisobutylamino)-6-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27ClN6O
InChI InChI=1S/C24H27ClN6O/c1-16(2)14-29(15-17(3)4)24-26-22-21(23(32)30(24)19-8-6-5-7-9-19)27-28-31(22)20-12-10-18(25)11-13-20/h5-13,16-17H,14-15H2,1-4H3
InChIKey IXHRVWSGZAWZBL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 450.974 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)N(CC(C)C)CC(C)C
SPLASH splash10-006x-9304200000-670791fb2fcb716969d3
Source of Spectrum CJC-29-992-4c
Wiley ID 1772569