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3-Phenylaminocarbonyl-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 65wgcY1netV
InChI InChI=1S/C25H17ClN8O2/c26-16-11-13-19(14-12-16)33-25-29-22-20(15-27-32(22)18-9-5-2-6-10-18)24(36)34(25)31-21(30-33)23(35)28-17-7-3-1-4-8-17/h1-15H,(H,28,35)(H,30,31)
InChIKey KUWIYGLKFDKPIN-UHFFFAOYSA-N
Mol Weight 496.92 g/mol
Molecular Formula C25H17ClN8O2
Exact Mass 496.1163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ajXe3DEl9c
Name 3-Phenylaminocarbonyl-1-(p-chlorophenyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]-tetrazin-6-one
Alternate Name(s) 1-(4-Chlorophenyl)-6-oxo-N,9-diphenyl-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 C25H17ClN8O2
InChI InChI=1S/C25H17ClN8O2/c26-16-11-13-19(14-12-16)33-25-29-22-20(15-27-32(22)18-9-5-2-6-10-18)24(36)34(25)31-21(30-33)23(35)28-17-7-3-1-4-8-17/h1-15H,(H,28,35)(H,30,31)
InChIKey KUWIYGLKFDKPIN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 496.918 g/mol
SMILES N1N2C(c3c(N=C2N(N=C1C(=O)Nc1ccccc1)c1ccc(cc1)Cl)[n](nc3)-c1ccccc1)=O
SPLASH splash10-0002-1002900000-41f79451eb04f4cb69ec
Source of Spectrum QA-53-927-6n
Wiley ID 1796231