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

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N-(1,3-benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
SpectraBase Compound ID UFY04JINYi
InChI InChI=1S/C23H20ClN5O5S/c1-27-20-19(21(31)28(2)23(27)32)29(10-13-4-3-5-14(24)8-13)22(26-20)35-11-18(30)25-15-6-7-16-17(9-15)34-12-33-16/h3-9H,10-12H2,1-2H3,(H,25,30)
InChIKey CLVNJCCVUGHTTK-UHFFFAOYSA-N
Mol Weight 513.96 g/mol
Molecular Formula C23H20ClN5O5S
Exact Mass 513.087368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5H2qIWsW9iG
Name acetamide, N-(1,3-benzodioxol-5-yl)-2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.087367633 u
Formula C23H20ClN5O5S
InChI InChI=1S/C23H20ClN5O5S/c1-27-20-19(21(31)28(2)23(27)32)29(10-13-4-3-5-14(24)8-13)22(26-20)35-11-18(30)25-15-6-7-16-17(9-15)34-12-33-16/h3-9H,10-12H2,1-2H3,(H,25,30)
InChIKey CLVNJCCVUGHTTK-UHFFFAOYSA-N
Molecular Weight 513.956 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10321
Solvent DMSO-d6
Source Vendor ID: NMR/10241147; Lab Info: SAD; Lab Number: SAD-0001766