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2-(Dihexylamino)-3-phenyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID FoIBYtmu7Dw
InChI InChI=1S/C26H37N3OS/c1-5-7-9-14-18-28(19-15-10-8-6-2)26-27-24-23(20(3)21(4)31-24)25(30)29(26)22-16-12-11-13-17-22/h11-13,16-17H,5-10,14-15,18-19H2,1-4H3
InChIKey XWLADGXUHKTKKT-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H37N3OS
Exact Mass 439.265734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcDgokcQd7K
Name 2-(Dihexylamino)-3-phenyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Appearance White crystals
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Formula C26H37N3OS
InChI InChI=1S/C26H37N3OS/c1-5-7-9-14-18-28(19-15-10-8-6-2)26-27-24-23(20(3)21(4)31-24)25(30)29(26)22-16-12-11-13-17-22/h11-13,16-17H,5-10,14-15,18-19H2,1-4H3
InChIKey XWLADGXUHKTKKT-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.4.49
Molecular Weight 439.662 g/mol
SMILES C(CCCCC)N(CCCCCC)C=1N(C(c2c(N1)sc(c2C)C)=O)c1ccccc1
SPLASH splash10-000i-1011900000-56b4320635f40d7a0638
Source of Spectrum BJO-4-4-6d
Wiley ID 1871508