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3-Acetyl-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 daoe4plAK1
InChI InChI=1S/C20H14ClN7O2/c1-12(29)17-24-27(15-9-7-13(21)8-10-15)20-23-18-16(19(30)28(20)25-17)11-22-26(18)14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)
InChIKey IMYYFLPBOICMRK-UHFFFAOYSA-N
Mol Weight 419.83 g/mol
Molecular Formula C20H14ClN7O2
Exact Mass 419.08975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ioixc6dU20y
Name 3-Acetyl-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) 3-Acetyl-1-(4-chlorophenyl)-9-phenyl-1,9-dihydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6(4H)-one
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Formula C20H14ClN7O2
InChI InChI=1S/C20H14ClN7O2/c1-12(29)17-24-27(15-9-7-13(21)8-10-15)20-23-18-16(19(30)28(20)25-17)11-22-26(18)14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)
InChIKey IMYYFLPBOICMRK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 419.832 g/mol
SMILES N1C(=NN(C2=Nc3c(C(N12)=O)cn[n]3-c1ccccc1)c1ccc(cc1)Cl)C(=O)C
SPLASH splash10-00vi-1104900000-9539715852e5fa67b10b
Source of Spectrum QA-53-926-6f
Wiley ID 1796223