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(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 NMR

(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 7UzEoyQJEw
InChI InChI=1S/C22H22ClN5O2S/c1-11(2)21-26-28-19(24)16(20(29)25-22(28)31-21)9-14-8-12(3)27(13(14)4)15-6-7-18(30-5)17(23)10-15/h6-11,24H,1-5H3/b16-9+,24-19?
InChIKey PXLOCQVYXYZISX-UOIDATNWSA-N
Mol Weight 455.96 g/mol
Molecular Formula C22H22ClN5O2S
Exact Mass 455.118274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5VVa4alScgd
Name (6E)-6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-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/C22H22ClN5O2S/c1-11(2)21-26-28-19(24)16(20(29)25-22(28)31-21)9-14-8-12(3)27(13(14)4)15-6-7-18(30-5)17(23)10-15/h6-11,24H,1-5H3/b16-9+,24-19?
InChIKey PXLOCQVYXYZISX-UOIDATNWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4163
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: E01070; Labnumber: CEP4-1305; SBI_ID: SBI-004165
Synonyms 6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C