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3-Acetyl-1-(p-methoxyphenyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID EK4tt6yqaqc
InChI InChI=1S/C21H17N7O3/c1-13(29)18-24-27(15-8-10-16(31-2)11-9-15)21-23-19-17(20(30)28(21)25-18)12-22-26(19)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,25)
InChIKey GMZBHWKDQSBJCU-UHFFFAOYSA-N
Mol Weight 415.41 g/mol
Molecular Formula C21H17N7O3
Exact Mass 415.139287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C7Vfng7X26
Name 3-Acetyl-1-(p-methoxyphenyl)-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-methoxyphenyl)-9-phenyl-1,9-dihydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N7O3
InChI InChI=1S/C21H17N7O3/c1-13(29)18-24-27(15-8-10-16(31-2)11-9-15)21-23-19-17(20(30)28(21)25-18)12-22-26(19)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,24,25)
InChIKey GMZBHWKDQSBJCU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 415.413 g/mol
SMILES N1C(=NN(C2=Nc3c(C(N12)=O)cn[n]3-c1ccccc1)c1ccc(cc1)OC)C(=O)C
SPLASH splash10-004i-9020300000-2192df7b85e5c5327d19
Source of Spectrum QA-53-926-6g
Wiley ID 1796224