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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylene]-2-propyl-, (6Z)-
SpectraBase Compound ID GoPi9wketL0
InChI InChI=1S/C23H21N5O5S/c1-2-6-20-26-27-21(24)18(22(29)25-23(27)34-20)14-15-13-16(28(30)31)9-10-19(15)33-12-11-32-17-7-4-3-5-8-17/h3-5,7-10,13-14,24H,2,6,11-12H2,1H3/b18-14-,24-21?
InChIKey WYMXYPIQHTWBJH-ZUGBYVCQSA-N
Mol Weight 479.51 g/mol
Molecular Formula C23H21N5O5S
Exact Mass 479.12634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cmIEs0F3fc
Name (6Z)-5-azanylidene-6-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N5O5S
InChI InChI=1S/C23H21N5O5S/c1-2-6-20-26-27-21(24)18(22(29)25-23(27)34-20)14-15-13-16(28(30)31)9-10-19(15)33-12-11-32-17-7-4-3-5-8-17/h3-5,7-10,13-14,24H,2,6,11-12H2,1H3/b18-14-,24-21?
InChIKey WYMXYPIQHTWBJH-ZUGBYVCQSA-N
Molecular Weight 479.511 g/mol
SMILES N=C1\C(C(=O)N=C2N1N=C(CCC)S2)=C\c1cc(N(=O)=O)ccc1OCCOc1ccccc1
SPLASH splash10-00mx-9200000000-fb118c64b590111ee532
Synonyms (6Z)-5-imino-6-[5-nitro-2-(2-phenoxyethoxy)benzylidene]-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[5-nitro-2-(2-phenoxyethoxy)benzylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[[5-nitro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Wiley ID 1453790