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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[4-(1-phenylethoxy)phenyl]methylene]-, (6Z)-
SpectraBase Compound ID HuGdDUP6Ia9
InChI InChI=1S/C23H22N4O2S/c1-14(2)22-26-27-20(24)19(21(28)25-23(27)30-22)13-16-9-11-18(12-10-16)29-15(3)17-7-5-4-6-8-17/h4-15,24H,1-3H3/b19-13-,24-20?
InChIKey QLCQBCXYUBJIQD-RYEIUNSYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C23H22N4O2S
Exact Mass 418.146347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnBYK7HPbwD
Name (6Z)-5-azanylidene-6-[[4-(1-phenylethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) (6Z)-5-imino-2-isopropyl-6-[4-(1-phenylethoxy)benzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-2-isopropyl-6-[[4-(1-phenylethoxy)phenyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[4-(1-phenylethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Formula C23H22N4O2S
InChI InChI=1S/C23H22N4O2S/c1-14(2)22-26-27-20(24)19(21(28)25-23(27)30-22)13-16-9-11-18(12-10-16)29-15(3)17-7-5-4-6-8-17/h4-15,24H,1-3H3/b19-13-,24-20?
InChIKey QLCQBCXYUBJIQD-RYEIUNSYSA-N
Molecular Weight 418.515 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1ccc(OC(c2ccccc2)C)cc1
SPLASH splash10-0a4i-4900000000-823e657d060b6605a22b
Wiley ID 1453699