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3-Acetyl-1-p-tolyl-9-phenyl-1,4-dihydropyrazolo[3,4-d]-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID ISr68ZzRrgF
InChI InChI=1S/C21H17N7O2/c1-13-8-10-16(11-9-13)27-21-23-19-17(12-22-26(19)15-6-4-3-5-7-15)20(30)28(21)25-18(24-27)14(2)29/h3-12H,1-2H3,(H,24,25)
InChIKey CWBSWJAPHRVRCN-UHFFFAOYSA-N
Mol Weight 399.41 g/mol
Molecular Formula C21H17N7O2
Exact Mass 399.144373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27D3avwFLoy
Name 3-Acetyl-1-p-tolyl-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 C21H17N7O2
InChI InChI=1S/C21H17N7O2/c1-13-8-10-16(11-9-13)27-21-23-19-17(12-22-26(19)15-6-4-3-5-7-15)20(30)28(21)25-18(24-27)14(2)29/h3-12H,1-2H3,(H,24,25)
InChIKey CWBSWJAPHRVRCN-UHFFFAOYSA-N
Molecular Weight 399.414 g/mol
SMILES N1C(=NN(C2=Nc3c(C(N12)=O)cn[n]3-c1ccccc1)c1ccc(cc1)C)C(=O)C
SPLASH splash10-004l-9002200000-0fa71c32803e3df64c49
Source of Spectrum QA-53-926-6e
Synonyms 3-Acetyl-9-phenyl-1-(p-tolyl)-1,9-dihydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6(4H)-one
Wiley ID 1796222