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N-(3-Butoxypropyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)acetamide

View entire compound with spectra: 1 NMR

N-(3-Butoxypropyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)acetamide
SpectraBase Compound ID H7TCV9tCKLi
InChI InChI=1S/C16H25N5O4/c1-4-5-8-25-9-6-7-17-12(22)10-21-11-18-14-13(21)15(23)20(3)16(24)19(14)2/h11H,4-10H2,1-3H3,(H,17,22)
InChIKey IFTSTOXNUVZSHV-UHFFFAOYSA-N
Mol Weight 351.41 g/mol
Molecular Formula C16H25N5O4
Exact Mass 351.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5JHWj2rGJR
Name N-(3-Butoxypropyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.190654301 u
Formula C16H25N5O4
InChI InChI=1S/C16H25N5O4/c1-4-5-8-25-9-6-7-17-12(22)10-21-11-18-14-13(21)15(23)20(3)16(24)19(14)2/h11H,4-10H2,1-3H3,(H,17,22)
InChIKey IFTSTOXNUVZSHV-UHFFFAOYSA-N
Molecular Weight 351.407 g/mol
SMILES C1(N(C(C2=C(N1C)N=CN2CC(NCCCOCCCC)=O)=O)C)=O