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Ethyl 3-[(4-Chlorobenzyl)amino]-5-oxo-1-phenyl-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxy-late
SpectraBase Compound ID 1GifuG3mech
InChI InChI=1S/C21H18ClN5O3/c1-2-30-19(29)17-13-24-21-26(18(17)28)20(23-12-14-8-10-15(22)11-9-14)25-27(21)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,23,25)
InChIKey XNTHEJNCJMBLOL-UHFFFAOYSA-N
Mol Weight 423.86 g/mol
Molecular Formula C21H18ClN5O3
Exact Mass 423.109817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKkhSe7dWtJ
Name Ethyl 3-[(4-Chlorobenzyl)amino]-5-oxo-1-phenyl-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxy-late
Alternate Name(s) Ethyl 3-((4-chlorobenzyl)amino)-5-oxo-1-phenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClN5O3
InChI InChI=1S/C21H18ClN5O3/c1-2-30-19(29)17-13-24-21-26(18(17)28)20(23-12-14-8-10-15(22)11-9-14)25-27(21)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,23,25)
InChIKey XNTHEJNCJMBLOL-UHFFFAOYSA-N
Molecular Weight 423.860 g/mol
SMILES N(C=1N2C(N(c3ccccc3)N1)=NC=C(C2=O)C(=O)OCC)Cc1ccc(cc1)Cl
SPLASH splash10-004j-1409200000-79108d789cd0a50451c7
Source of Spectrum HC-49-1506-8f
Wiley ID 1739303