For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-[(4-fluorophenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID Kt4GyJCyN04
InChI InChI=1S/C22H19FN4O2S/c1-13(2)21-26-27-19(24)18(20(28)25-22(27)30-21)11-15-4-3-5-17(10-15)29-12-14-6-8-16(23)9-7-14/h3-11,13,24H,12H2,1-2H3/b18-11-,24-19?
InChIKey PEHAZRMYBFWDET-QAPXJYDZSA-N
Mol Weight 422.48 g/mol
Molecular Formula C22H19FN4O2S
Exact Mass 422.121275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FwHR9XRIEI8
Name (6Z)-5-azanylidene-6-[[3-[(4-fluorophenyl)methoxy]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 C22H19FN4O2S
InChI InChI=1S/C22H19FN4O2S/c1-13(2)21-26-27-19(24)18(20(28)25-22(27)30-21)11-15-4-3-5-17(10-15)29-12-14-6-8-16(23)9-7-14/h3-11,13,24H,12H2,1-2H3/b18-11-,24-19?
InChIKey PEHAZRMYBFWDET-QAPXJYDZSA-N
Molecular Weight 422.478 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(C(C)C)S2)=C\c1cc(OCc2ccc(cc2)F)ccc1
SPLASH splash10-0a4i-4900000000-5690aeca31b974ed0d57
Synonyms (6Z)-6-[3-(4-fluorobenzyl)oxybenzylidene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-[(4-fluorophenyl)methoxy]phenyl]methylene]-5-imino-2-isopropyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one 6-{3-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453753