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Propanedioic acid, [ethoxy[[6-(ethoxycarbonyl)-4,7-dihydro-7-oxo-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl]amino]methyl]-, diethyl ester

View entire compound with spectra: 1 MS (GC)

Propanedioic acid, [ethoxy[[6-(ethoxycarbonyl)-4,7-dihydro-7-oxo-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl]amino]methyl]-, diethyl ester
SpectraBase Compound ID GkXl3lN9J1c
InChI InChI=1S/C25H30N4O8/c1-5-34-21(18(24(32)36-7-3)25(33)37-8-4)27-19-17(15-12-10-9-11-13-15)20-26-14-16(23(31)35-6-2)22(30)29(20)28-19/h9-14,18,21,26H,5-8H2,1-4H3,(H,27,28)
InChIKey FADJXCTWOAIFFS-UHFFFAOYSA-N
Mol Weight 514.54 g/mol
Molecular Formula C25H30N4O8
Exact Mass 514.206364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RcIX9cOeQw
Name Propanedioic acid, [ethoxy[[6-(ethoxycarbonyl)-4,7-dihydro-7-oxo-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl]amino]methyl]-, diethyl ester
CAS Registry Number 85738-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N4O8
InChI InChI=1S/C25H30N4O8/c1-5-34-21(18(24(32)36-7-3)25(33)37-8-4)27-19-17(15-12-10-9-11-13-15)20-26-14-16(23(31)35-6-2)22(30)29(20)28-19/h9-14,18,21,26H,5-8H2,1-4H3,(H,27,28)
InChIKey FADJXCTWOAIFFS-UHFFFAOYSA-N
Molecular Weight 514.535 g/mol
SMILES N(c1n[n]2c(c1-c1ccccc1)NC=C(C2=O)C(=O)OCC)C(C(C(=O)OCC)C(=O)OCC)OCC
SPLASH splash10-0gi4-0961000000-675c3bb77ae40b50fba9
Source of Spectrum KC-1983-15-0
Synonyms Diethyl 2-(ethoxy{[6-(ethoxycarbonyl)-7-oxo-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-yl]amino}methyl)malonate Ethyl 2-(2,2-bisethoxycarbonyl-1-ethoxyethylamino)-4,7-dihydro-7-oxo-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate Pyrazolo[1,5-a]pyrimidine, propanedioic acid deriv.
Wiley ID 1401074