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N-Phenyl-6-cyano-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one-3-carboxamide
SpectraBase Compound ID 88A91Vf82Wg
InChI InChI=1S/C25H16N6O2/c26-16-20-21(17-10-4-1-5-11-17)28-25-30(24(20)33)22(23(32)27-18-12-6-2-7-13-18)29-31(25)19-14-8-3-9-15-19/h1-15H,(H,27,32)
InChIKey SHJVNRUZJLVVGY-UHFFFAOYSA-N
Mol Weight 432.44 g/mol
Molecular Formula C25H16N6O2
Exact Mass 432.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLSlrdWskt
Name N-Phenyl-6-cyano-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16N6O2
InChI InChI=1S/C25H16N6O2/c26-16-20-21(17-10-4-1-5-11-17)28-25-30(24(20)33)22(23(32)27-18-12-6-2-7-13-18)29-31(25)19-14-8-3-9-15-19/h1-15H,(H,27,32)
InChIKey SHJVNRUZJLVVGY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20311
Molecular Weight 432.443 g/mol
SMILES N(C(=O)C1=NN(C2=NC(=C(C(N12)=O)C#N)c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0059-2109700000-5d011be6a1c18382f6a7
Source of Spectrum HAC-18-397-5g
Synonyms 6-Cyano-5-oxo-N,1,7-triphenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide 6-Cyano-5-oxo-N,1,7-triphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide 6-Cyano-5-oxidanylidene-N,1,7-triphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
Wiley ID 1776053