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1,2,3,4-Tetrahydropyrimidin-2,4-dione, 6-amino-5-[3-[3,5-methoxyphenyl]
SpectraBase Compound ID 4iRbtZy9hIx
InChI InChI=1S/C21H28N4O5/c1-5-9-24-19(22)18(20(27)25(10-6-2)21(24)28)23-17(26)8-7-14-11-15(29-3)13-16(12-14)30-4/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,26)/b8-7+
InChIKey HJRUCPIOTKTWEI-BQYQJAHWSA-N
Mol Weight 416.48 g/mol
Molecular Formula C21H28N4O5
Exact Mass 416.20597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCUtbMZPhR3
Name 1,2,3,4-Tetrahydropyrimidin-2,4-dione, 6-amino-5-[3-[3,5-methoxyphenyl]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.205970013 u
Formula C21H28N4O5
InChI InChI=1S/C21H28N4O5/c1-5-9-24-19(22)18(20(27)25(10-6-2)21(24)28)23-17(26)8-7-14-11-15(29-3)13-16(12-14)30-4/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,26)/b8-7+
InChIKey HJRUCPIOTKTWEI-BQYQJAHWSA-N
Molecular Weight 416.478 g/mol
SMILES C1(N(C(C(=C(N1CCC)N)NC(=O)\C=C\C1=CC(=CC(=C1)OC)OC)=O)CCC)=O