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6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
SpectraBase Compound ID 8TGyUkWuAk5
InChI InChI=1S/C22H18N6OS2/c1-12-7-8-16-15(9-12)13(2)23-20(25-16)28-21-24-14(10-19(29)27-21)11-30-22-26-17-5-3-4-6-18(17)31-22/h3-10H,11H2,1-2H3,(H2,23,24,25,27,28,29)
InChIKey LCYYOBSZDJWCII-UHFFFAOYSA-N
Mol Weight 446.55 g/mol
Molecular Formula C22H18N6OS2
Exact Mass 446.098352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KTy45ku1ft9
Name 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-[(4,6-dimethyl-2-quinazolinyl)amino]-4(1H)-pyrimidinone
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/C22H18N6OS2/c1-12-7-8-16-15(9-12)13(2)23-20(25-16)28-21-24-14(10-19(29)27-21)11-30-22-26-17-5-3-4-6-18(17)31-22/h3-10H,11H2,1-2H3,(H2,23,24,25,27,28,29)
InChIKey LCYYOBSZDJWCII-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9226
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: D52827; Labnumber: VGU-18415; SBI_ID: SBI-009229
Temperature 318 °C