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N''-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}-N-(2,4-dimethoxyphenyl)guanidine
SpectraBase Compound ID 4M8MPwfIoWZ
InChI InChI=1S/C21H20N6O3S2/c1-29-13-7-8-14(16(10-13)30-2)24-19(22)27-20-23-12(9-18(28)26-20)11-31-21-25-15-5-3-4-6-17(15)32-21/h3-10H,11H2,1-2H3,(H4,22,23,24,26,27,28)
InChIKey LGSBNUAPTXDKKA-UHFFFAOYSA-N
Mol Weight 468.55 g/mol
Molecular Formula C21H20N6O3S2
Exact Mass 468.103831 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YkB5CGf78O
Name N''-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydro-2-pyrimidinyl}-N-(2,4-dimethoxyphenyl)guanidine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.103830873 u
Formula C21H20N6O3S2
InChI InChI=1S/C21H20N6O3S2/c1-29-13-7-8-14(16(10-13)30-2)24-19(22)27-20-23-12(9-18(28)26-20)11-31-21-25-15-5-3-4-6-17(15)32-21/h3-10H,11H2,1-2H3,(H4,22,23,24,26,27,28)
InChIKey LGSBNUAPTXDKKA-UHFFFAOYSA-N
Molecular Weight 468.550 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_280
Solvent DMSO-d6
Source Vendor ID: NMR/12259977