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2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide

View entire compound with spectra: 2 NMR

2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
SpectraBase Compound ID CEP36NsU4xz
InChI InChI=1S/C17H19N5O3S/c1-4-22-13-14(20(2)17(25)21(3)15(13)24)19-16(22)26-10-12(23)18-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,18,23)
InChIKey WOOPNLVOMYIUKV-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C17H19N5O3S
Exact Mass 373.120861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEFwTosJMl5
Name 2-[(7-Ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.120860663 u
Formula C17H19N5O3S
InChI InChI=1S/C17H19N5O3S/c1-4-22-13-14(20(2)17(25)21(3)15(13)24)19-16(22)26-10-12(23)18-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,18,23)
InChIKey WOOPNLVOMYIUKV-UHFFFAOYSA-N
Molecular Weight 373.431 g/mol
SMILES N(C(CSC1=NC2=C(C(=O)N(C(N2C)=O)C)N1CC)=O)C1=CC=CC=C1