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Methyl 2-(benzoylamino)-3-[3'-(ethoxycarbonyl)-5'-oxo-1'-phenyl-[1,2,4]-triazolo[4,3-a]pyrimidin-7'-yl]aminopropenoate
SpectraBase Compound ID 7TOaZXvIwAD
InChI InChI=1S/C25H22N6O6/c1-3-37-24(35)21-29-31(17-12-8-5-9-13-17)25-28-19(14-20(32)30(21)25)26-15-18(23(34)36-2)27-22(33)16-10-6-4-7-11-16/h4-15,26H,3H2,1-2H3,(H,27,33)/b18-15+
InChIKey HCULUCKLUXDUSV-OBGWFSINSA-N
Mol Weight 502.49 g/mol
Molecular Formula C25H22N6O6
Exact Mass 502.160082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24LV53DZCa
Name Methyl 2-(benzoylamino)-3-[3'-(ethoxycarbonyl)-5'-oxo-1'-phenyl-[1,2,4]-triazolo[4,3-a]pyrimidin-7'-yl]aminopropenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N6O6
InChI InChI=1S/C25H22N6O6/c1-3-37-24(35)21-29-31(17-12-8-5-9-13-17)25-28-19(14-20(32)30(21)25)26-15-18(23(34)36-2)27-22(33)16-10-6-4-7-11-16/h4-15,26H,3H2,1-2H3,(H,27,33)/b18-15+
InChIKey HCULUCKLUXDUSV-OBGWFSINSA-N
Molecular Weight 502.487 g/mol
SMILES N(\C=C\(NC(=O)c1ccccc1)C(=O)OC)C1=CC(N2C(N(c3ccccc3)N=C2C(=O)OCC)=N1)=O
SPLASH splash10-0zi0-9501260000-3052f2a7744076ad40fb
Source of Spectrum AH-133-1302-12
Synonyms Ethyl 7-{[(1E)-2-(benzoylamino)-3-methoxy-3-oxo-1-propenyl]amino}-5-oxo-1-phenyl-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Methyl 2-(benzoylamino)-3-[3'-(ethoxycarbonyl)-1'-phenyl-[1,2,4]-triazolo[4,3-a]pyrimidin-7'-yl]aminopropenoate
Wiley ID 1546762