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(6E)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 1AASrkYJKyc
InChI InChI=1S/C27H20N6OS/c1-17-7-2-3-8-19(17)15-32-16-20(21-10-4-5-11-23(21)32)13-22-24(28)33-27(30-25(22)34)35-26(31-33)18-9-6-12-29-14-18/h2-14,16,28H,15H2,1H3/b22-13+,28-24?
InChIKey SXAJJAHKVIKPGV-VALGJJBMSA-N
Mol Weight 476.56 g/mol
Molecular Formula C27H20N6OS
Exact Mass 476.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4vHcaJHsWCx
Name (6E)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-2-(3-pyridinyl)-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/C27H20N6OS/c1-17-7-2-3-8-19(17)15-32-16-20(21-10-4-5-11-23(21)32)13-22-24(28)33-27(30-25(22)34)35-26(31-33)18-9-6-12-29-14-18/h2-14,16,28H,15H2,1H3/b22-13+,28-24?
InChIKey SXAJJAHKVIKPGV-VALGJJBMSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21582
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: D55099; Labnumber: CEP5-0287; SBI_ID: SBI-021586
Synonyms 5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C