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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID GwYo1oJumZV
InChI InChI=1S/C24H23ClN4O4S/c1-14(2)23-28-29-21(26)17(22(30)27-24(29)34-23)11-15-12-18(25)20(19(13-15)31-3)33-10-9-32-16-7-5-4-6-8-16/h4-8,11-14,26H,9-10H2,1-3H3/b17-11-,26-21?
InChIKey CHYBPEZSGXSCGV-XSBGCYDXSA-N
Mol Weight 498.99 g/mol
Molecular Formula C24H23ClN4O4S
Exact Mass 498.112854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69RjeHcHXn2
Name (6Z)-5-azanylidene-6-[[3-chloranyl-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23ClN4O4S
InChI InChI=1S/C24H23ClN4O4S/c1-14(2)23-28-29-21(26)17(22(30)27-24(29)34-23)11-15-12-18(25)20(19(13-15)31-3)33-10-9-32-16-7-5-4-6-8-16/h4-8,11-14,26H,9-10H2,1-3H3/b17-11-,26-21?
InChIKey CHYBPEZSGXSCGV-XSBGCYDXSA-N
Molecular Weight 498.985 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1cc(Cl)c(c(c1)OC)OCCOc1ccccc1
SPLASH splash10-00fu-9500000000-4b4fa4272516535971c1
Synonyms (6Z)-6-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453897