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Ethyl-6-cyano-1,7-diphenyl-[1,2,4]triazolo[4,3-a]-pyrimidin-5(1H)-one-3-carboxylate
SpectraBase Compound ID 1b2XCzQ9iTk
InChI InChI=1S/C21H15N5O3/c1-2-29-20(28)18-24-26(15-11-7-4-8-12-15)21-23-17(14-9-5-3-6-10-14)16(13-22)19(27)25(18)21/h3-12H,2H2,1H3
InChIKey YVIZEZSSGQOUML-UHFFFAOYSA-N
Mol Weight 385.38 g/mol
Molecular Formula C21H15N5O3
Exact Mass 385.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CO0KIS3xhiP
Name Ethyl-6-cyano-1,7-diphenyl-[1,2,4]triazolo[4,3-a]-pyrimidin-5(1H)-one-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N5O3
InChI InChI=1S/C21H15N5O3/c1-2-29-20(28)18-24-26(15-11-7-4-8-12-15)21-23-17(14-9-5-3-6-10-14)16(13-22)19(27)25(18)21/h3-12H,2H2,1H3
InChIKey YVIZEZSSGQOUML-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20311
Molecular Weight 385.383 g/mol
SMILES C12=NC(=C(C(N2C(=NN1c1ccccc1)C(=O)OCC)=O)C#N)c1ccccc1
SPLASH splash10-000i-0109000000-51dc84ca4afc914fa685
Source of Spectrum HAC-18-396-5d
Synonyms Ethyl 6-cyano-5-oxo-1,7-diphenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate 6-Cyano-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Ethyl 6-cyano-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Ethyl 6-cyano-5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
Wiley ID 1776050