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1,9-Diphenyl-3-phenylaminocarbonyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID Cw5I843F9To
InChI InChI=1S/C25H18N8O2/c34-23(27-17-10-4-1-5-11-17)21-29-32(19-14-8-3-9-15-19)25-28-22-20(24(35)33(25)30-21)16-26-31(22)18-12-6-2-7-13-18/h1-16H,(H,27,34)(H,29,30)
InChIKey LYFIXSDSDIGYOA-UHFFFAOYSA-N
Mol Weight 462.47 g/mol
Molecular Formula C25H18N8O2
Exact Mass 462.155272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hqe7OX9l7Ec
Name 1,9-Diphenyl-3-phenylaminocarbonyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
Alternate Name(s) 6-Oxo-N,1,9-triphenyl-1,4,6,9-tetrahydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N8O2
InChI InChI=1S/C25H18N8O2/c34-23(27-17-10-4-1-5-11-17)21-29-32(19-14-8-3-9-15-19)25-28-22-20(24(35)33(25)30-21)16-26-31(22)18-12-6-2-7-13-18/h1-16H,(H,27,34)(H,29,30)
InChIKey LYFIXSDSDIGYOA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 462.473 g/mol
SMILES N1N2C(c3c(N=C2N(N=C1C(=O)Nc1ccccc1)c1ccccc1)[n](nc3)-c1ccccc1)=O
SPLASH splash10-03di-2021900000-5dafd53439c8677d1963
Source of Spectrum QA-53-927-6l
Wiley ID 1796229