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1-(4'-Methylphenyl)-3-(2''-thienylcarbonyl)-6H-[1,2,4,5]tetrazino[3,2-b]quinazolin-6-one
SpectraBase Compound ID 9leUtpiH49G
InChI InChI=1S/C21H15N5O2S/c1-13-8-10-14(11-9-13)25-21-22-16-6-3-2-5-15(16)20(28)26(21)24-19(23-25)18(27)17-7-4-12-29-17/h2-12H,1H3,(H,23,24)
InChIKey QLXPNBIVMXIFKB-UHFFFAOYSA-N
Mol Weight 401.44 g/mol
Molecular Formula C21H15N5O2S
Exact Mass 401.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6GevFfJyZu
Name 1-(4'-Methylphenyl)-3-(2''-thienylcarbonyl)-6H-[1,2,4,5]tetrazino[3,2-b]quinazolin-6-one
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Formula C21H15N5O2S
InChI InChI=1S/C21H15N5O2S/c1-13-8-10-14(11-9-13)25-21-22-16-6-3-2-5-15(16)20(28)26(21)24-19(23-25)18(27)17-7-4-12-29-17/h2-12H,1H3,(H,23,24)
InChIKey QLXPNBIVMXIFKB-UHFFFAOYSA-N
Molecular Weight 401.444 g/mol
SMILES N1N2C(N(N=C1C(c1sccc1)=O)c1ccc(cc1)C)=Nc1c(C2=O)cccc1
SPLASH splash10-03di-2910300000-991775b52cb0f28d9cf5
Source of Spectrum AH-132-963-6
Wiley ID 849832