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2-N-Hexylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one
SpectraBase Compound ID CVwdA07KiPd
InChI InChI=1S/C25H25N3OS2/c1-2-3-4-11-16-26-25-27-22-21(23(29)28(25)19-14-9-6-10-15-19)17-20(24(30)31-22)18-12-7-5-8-13-18/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,26,27)
InChIKey FNTDDGGOANHBAL-UHFFFAOYSA-N
Mol Weight 447.62 g/mol
Molecular Formula C25H25N3OS2
Exact Mass 447.143905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GCwIA8OvWe
Name 2-N-Hexylamino-3,6-diphenyl-7-thioxo-3H-thiino[2,3-d]pyrimidine-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C25H25N3OS2
InChI InChI=1S/C25H25N3OS2/c1-2-3-4-11-16-26-25-27-22-21(23(29)28(25)19-14-9-6-10-15-19)17-20(24(30)31-22)18-12-7-5-8-13-18/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,26,27)
InChIKey FNTDDGGOANHBAL-UHFFFAOYSA-N
Molecular Weight 447.615 g/mol
SMILES N(C=1N(C(C2=C(N1)SC(C(=C2)c1ccccc1)=S)=O)c1ccccc1)CCCCCC
SPLASH splash10-0002-0000900000-8e47abb162b3a4140dc6
Source of Spectrum Y-49-392-15c
Wiley ID 1706532