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4-Cyano-6-(n-butylamino)-2,7-diphenyl-pyrimido[5,4-c]pyridazine-3,8-dione
SpectraBase Compound ID 8b8tfdCMriH
InChI InChI=1S/C23H20N6O2/c1-2-3-14-25-23-26-19-18(15-24)21(30)29(17-12-8-5-9-13-17)27-20(19)22(31)28(23)16-10-6-4-7-11-16/h4-13H,2-3,14H2,1H3,(H,25,26)
InChIKey UCZVHXPOENSAEO-UHFFFAOYSA-N
Mol Weight 412.45 g/mol
Molecular Formula C23H20N6O2
Exact Mass 412.164774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XW608Jg5R8
Name 4-Cyano-6-(n-butylamino)-2,7-diphenyl-pyrimido[5,4-c]pyridazine-3,8-dione
Comments Less than 3 mono-isotopic peaks
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Formula C23H20N6O2
InChI InChI=1S/C23H20N6O2/c1-2-3-14-25-23-26-19-18(15-24)21(30)29(17-12-8-5-9-13-17)27-20(19)22(31)28(23)16-10-6-4-7-11-16/h4-13H,2-3,14H2,1H3,(H,25,26)
InChIKey UCZVHXPOENSAEO-UHFFFAOYSA-N
Molecular Weight 412.453 g/mol
SMILES N(C=1N(C(C=2C(=C(C#N)C(N(N2)c2ccccc2)=O)N1)=O)c1ccccc1)CCCC
SPLASH splash10-03di-0000900000-558000ab5d75eeae58ab
Source of Spectrum Y-49-391-5b
Wiley ID 1706542