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(E)-2-Benzoylamino-3-(5-oxo-1,3-diphenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-ylamino)-acrylic acid methyl ester
SpectraBase Compound ID JaxPgp003rL
InChI InChI=1S/C28H22N6O4/c1-38-27(37)22(30-26(36)20-13-7-3-8-14-20)18-29-23-17-24(35)33-25(19-11-5-2-6-12-19)32-34(28(33)31-23)21-15-9-4-10-16-21/h2-18,29H,1H3,(H,30,36)/b22-18+
InChIKey UCCCCSKJAIZTPG-RELWKKBWSA-N
Mol Weight 506.52 g/mol
Molecular Formula C28H22N6O4
Exact Mass 506.170253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMFL4G2Klgd
Name (E)-2-Benzoylamino-3-(5-oxo-1,3-diphenyl-1,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-7-ylamino)-acrylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N6O4
InChI InChI=1S/C28H22N6O4/c1-38-27(37)22(30-26(36)20-13-7-3-8-14-20)18-29-23-17-24(35)33-25(19-11-5-2-6-12-19)32-34(28(33)31-23)21-15-9-4-10-16-21/h2-18,29H,1H3,(H,30,36)/b22-18+
InChIKey UCCCCSKJAIZTPG-RELWKKBWSA-N
Molecular Weight 506.522 g/mol
SMILES N(\C=C\(NC(=O)c1ccccc1)C(=O)OC)C1=CC(N2C(N(c3ccccc3)N=C2c2ccccc2)=N1)=O
SPLASH splash10-0a4i-9701280000-be5334dd41c56fd49a66
Source of Spectrum AH-133-1302-12
Synonyms Methyl (2E)-2-(benzoylamino)-3-[(5-oxo-1,3-diphenyl-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)amino]-2-propenoate Methyl 2-(benzoylamino)-3-(1',3'-diphenyl-[1,2,4]-triazolo[4,3-a]pyrimidin-7'-yl)aminopropenoate
Wiley ID 1546764