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Methyl 2-(benzoylamino)-3-(3'-acetyl-5'-oxo-1'-phenyl-[1,2,4]-triazolo[4,3-a]pyrimidin-7'-yl)aminopropenoate
SpectraBase Compound ID 2001UnfMBLC
InChI InChI=1S/C24H20N6O5/c1-15(31)21-28-30(17-11-7-4-8-12-17)24-27-19(13-20(32)29(21)24)25-14-18(23(34)35-2)26-22(33)16-9-5-3-6-10-16/h3-14,25H,1-2H3,(H,26,33)/b18-14+
InChIKey HESIGJVXMWQOAY-NBVRZTHBSA-N
Mol Weight 472.46 g/mol
Molecular Formula C24H20N6O5
Exact Mass 472.149518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XkmQZej8ok
Name Methyl 2-(benzoylamino)-3-(3'-acetyl-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 C24H20N6O5
InChI InChI=1S/C24H20N6O5/c1-15(31)21-28-30(17-11-7-4-8-12-17)24-27-19(13-20(32)29(21)24)25-14-18(23(34)35-2)26-22(33)16-9-5-3-6-10-16/h3-14,25H,1-2H3,(H,26,33)/b18-14+
InChIKey HESIGJVXMWQOAY-NBVRZTHBSA-N
Molecular Weight 472.461 g/mol
SMILES N(\C=C\(NC(=O)c1ccccc1)C(=O)OC)C1=CC(N2C(N(c3ccccc3)N=C2C(=O)C)=N1)=O
SPLASH splash10-0adl-8701900000-58fc7f01084f77894c4c
Source of Spectrum AH-133-1302-12
Synonyms Methyl (2E)-3-[(3-acetyl-5-oxo-1-phenyl-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)amino]-2-(benzoylamino)-2-propenoate Methyl 2-(benzoylamino)-3-(3'-acetyl-1'-phenyl-[1,2,4]-triazolo[4,3-a]pyrimidin-7'-yl)aminopropenoate
Wiley ID 1546763