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3-Ethoxycarbonyl-1-(p-tolyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID 8Z0lDKhjh7t
InChI InChI=1S/C22H19N7O3/c1-3-32-21(31)18-25-28(16-11-9-14(2)10-12-16)22-24-19-17(20(30)29(22)26-18)13-23-27(19)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,25,26)
InChIKey JEFRHWDIQHEYKL-UHFFFAOYSA-N
Mol Weight 429.44 g/mol
Molecular Formula C22H19N7O3
Exact Mass 429.154937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hXUO59j3Vg
Name 3-Ethoxycarbonyl-1-(p-tolyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N7O3
InChI InChI=1S/C22H19N7O3/c1-3-32-21(31)18-25-28(16-11-9-14(2)10-12-16)22-24-19-17(20(30)29(22)26-18)13-23-27(19)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,25,26)
InChIKey JEFRHWDIQHEYKL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 429.440 g/mol
SMILES N1N2C(c3c(N=C2N(N=C1C(=O)OCC)c1ccc(cc1)C)[n](nc3)-c1ccccc1)=O
SPLASH splash10-004l-4004900000-d8b7485ceee77c7d192e
Source of Spectrum QA-53-927-6j
Synonyms Ethyl 6-oxo-9-phenyl-1-(p-tolyl)-1,4,6,9-tetrahydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate
Wiley ID 1796227