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(6E)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-2-[2-oxo-2-(1-piperidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID B6A8AIh4001
InChI InChI=1S/C29H28N6O2S/c1-19-9-3-4-10-20(19)17-34-18-21(22-11-5-6-12-24(22)34)15-23-27(30)35-29(31-28(23)37)38-25(32-35)16-26(36)33-13-7-2-8-14-33/h3-6,9-12,15,18,30H,2,7-8,13-14,16-17H2,1H3/b23-15+,30-27?
InChIKey NMJFVKAZFLRRCS-PSKBPPSXSA-N
Mol Weight 524.64 g/mol
Molecular Formula C29H28N6O2S
Exact Mass 524.199445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9L4EqkAudDu
Name (6E)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-2-[2-oxo-2-(1-piperidinyl)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/C29H28N6O2S/c1-19-9-3-4-10-20(19)17-34-18-21(22-11-5-6-12-24(22)34)15-23-27(30)35-29(31-28(23)37)38-25(32-35)16-26(36)33-13-7-2-8-14-33/h3-6,9-12,15,18,30H,2,7-8,13-14,16-17H2,1H3/b23-15+,30-27?
InChIKey NMJFVKAZFLRRCS-PSKBPPSXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24508
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: D46785; Labnumber: CEP5-0741; SBI_ID: SBI-024512
Synonyms 5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-2-[2-oxo-2-(1-piperidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C