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(6Z)-5-imino-6-[3-methoxy-4-(1-phenylethoxy)benzylidene]-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID KoRa1RefvNd
InChI InChI=1S/C27H27N5O4S/c1-17(19-8-4-3-5-9-19)36-21-11-10-18(15-22(21)35-2)14-20-25(28)32-27(29-26(20)34)37-23(30-32)16-24(33)31-12-6-7-13-31/h3-5,8-11,14-15,17,28H,6-7,12-13,16H2,1-2H3/b20-14-,28-25?
InChIKey XXRKKCFCSOEUOG-ZVPJYGFCSA-N
Mol Weight 517.6 g/mol
Molecular Formula C27H27N5O4S
Exact Mass 517.178376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D3Itz57gAtb
Name (6Z)-5-imino-6-[3-methoxy-4-(1-phenylethoxy)benzylidene]-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H27N5O4S/c1-17(19-8-4-3-5-9-19)36-21-11-10-18(15-22(21)35-2)14-20-25(28)32-27(29-26(20)34)37-23(30-32)16-24(33)31-12-6-7-13-31/h3-5,8-11,14-15,17,28H,6-7,12-13,16H2,1-2H3/b20-14-,28-25?
InChIKey XXRKKCFCSOEUOG-ZVPJYGFCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25882
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D61706; Labnumber: CEP5-0632; SBI_ID: SBI-025886
Synonyms 5-imino-6-[3-methoxy-4-(1-phenylethoxy)benzylidene]-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C