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N-(5-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide

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N-(5-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
SpectraBase Compound ID EeiV9ip4Cef
InChI InChI=1S/C18H16ClN7O3S2/c1-9(27)20-15-22-23-17(30-15)31-16-21-13-12(14(28)25(3)18(29)24(13)2)26(16)8-10-6-4-5-7-11(10)19/h4-7H,8H2,1-3H3,(H,20,22,27)
InChIKey ZVEKAFVAPWGXER-UHFFFAOYSA-N
Mol Weight 477.95 g/mol
Molecular Formula C18H16ClN7O3S2
Exact Mass 477.044457 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DqOI6ssNNGs
Name N-(5-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.044457448 u
Formula C18H16ClN7O3S2
InChI InChI=1S/C18H16ClN7O3S2/c1-9(27)20-15-22-23-17(30-15)31-16-21-13-12(14(28)25(3)18(29)24(13)2)26(16)8-10-6-4-5-7-11(10)19/h4-7H,8H2,1-3H3,(H,20,22,27)
InChIKey ZVEKAFVAPWGXER-UHFFFAOYSA-N
Molecular Weight 477.945 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3001
Solvent DMSO-d6
Source Vendor ID: NMR/12272015; Lab Info: SAD; Lab Number: SAD-0206003