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7-benzyl-8-[(4-methoxybenzyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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7-benzyl-8-[(4-methoxybenzyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID J0uz8r4RhUz
InChI InChI=1S/C21H21N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-15-6-4-3-5-7-15)20(23-18)22-12-14-8-10-16(29-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey JPSKWZSMXSULIJ-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C21H21N5O3
Exact Mass 391.16444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5DadnLGzWw
Name 7-Benzyl-8-[(4-methoxybenzyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.164439553 u
Formula C21H21N5O3
InChI InChI=1S/C21H21N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-15-6-4-3-5-7-15)20(23-18)22-12-14-8-10-16(29-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)
InChIKey JPSKWZSMXSULIJ-UHFFFAOYSA-N
Molecular Weight 391.431 g/mol
SMILES N(C=1N(C2=C(N(C(NC2=O)=O)C)N1)CC1=CC=CC=C1)CC1=CC=C(C=C1)OC