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3-Etoxycarbonyl-1-(p-chlorophenyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID 75uXp1TeS5h
InChI InChI=1S/C21H16ClN7O3/c1-2-32-20(31)17-25-28(15-10-8-13(22)9-11-15)21-24-18-16(19(30)29(21)26-17)12-23-27(18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,25,26)
InChIKey IHBGEIJMDSBROY-UHFFFAOYSA-N
Mol Weight 449.86 g/mol
Molecular Formula C21H16ClN7O3
Exact Mass 449.100315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Te5FrtcfYj
Name 3-Etoxycarbonyl-1-(p-chlorophenyl)-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 C21H16ClN7O3
InChI InChI=1S/C21H16ClN7O3/c1-2-32-20(31)17-25-28(15-10-8-13(22)9-11-15)21-24-18-16(19(30)29(21)26-17)12-23-27(18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,25,26)
InChIKey IHBGEIJMDSBROY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 449.858 g/mol
SMILES N1N2C(c3c(N=C2N(N=C1C(=O)OCC)c1ccc(cc1)Cl)[n](nc3)-c1ccccc1)=O
SPLASH splash10-0h6s-3204900000-baa72316168bb8a0750a
Source of Spectrum QA-53-927-6k
Synonyms Ethyl 1-(4-chlorophenyl)-6-oxo-9-phenyl-1,4,6,9-tetrahydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate
Wiley ID 1796228