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3-Amino-N-(1,5-dihydro-5-oxo-3-phenyl [1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID 1RmEKCI0dwG
InChI InChI=1S/C27H20N8O2/c28-24-22(23(17-10-4-1-5-11-17)35(33-24)19-14-8-3-9-15-19)26(37)29-20-16-21(36)34-25(31-32-27(34)30-20)18-12-6-2-7-13-18/h1-16H,(H2,28,33)(H,29,37)(H,30,32)
InChIKey VOWIGZXFOUXTJX-UHFFFAOYSA-N
Mol Weight 488.51 g/mol
Molecular Formula C27H20N8O2
Exact Mass 488.170922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzniH6n9lXR
Name 3-Amino-N-(1,5-dihydro-5-oxo-3-phenyl [1,2,4]triazolo[4,3-a]pyrimidin-7-yl)-1,5-diphenyl-1H-pyrazole-4-carboxamide
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N8O2
InChI InChI=1S/C27H20N8O2/c28-24-22(23(17-10-4-1-5-11-17)35(33-24)19-14-8-3-9-15-19)26(37)29-20-16-21(36)34-25(31-32-27(34)30-20)18-12-6-2-7-13-18/h1-16H,(H2,28,33)(H,29,37)(H,30,32)
InChIKey VOWIGZXFOUXTJX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2645
Molecular Weight 488.511 g/mol
SMILES Nc1c(C(=O)NC=2N=C3N(C(=NN3)c3ccccc3)C(C2)=O)c([n](n1)-c1ccccc1)-c1ccccc1
SPLASH splash10-03di-0971100000-484b607cc637477bcd1a
Source of Spectrum Y-54-857-32
Wiley ID 1877953