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3-methyl-8-(4-methyl-1-piperazinyl)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione

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3-methyl-8-(4-methyl-1-piperazinyl)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CVZDN2wSOlG
InChI InChI=1S/C22H24N6O2/c1-25-10-12-27(13-11-25)21-23-19-18(20(29)24-22(30)26(19)2)28(21)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-14H2,1-2H3,(H,24,29,30)
InChIKey WYFZOUATTKSAMC-UHFFFAOYSA-N
Mol Weight 404.47 g/mol
Molecular Formula C22H24N6O2
Exact Mass 404.196074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2voyIoExos0
Name 3-Methyl-8-(4-methyl-1-piperazinyl)-7-(1-naphthylmethyl)-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 404.196074035 u
Formula C22H24N6O2
InChI InChI=1S/C22H24N6O2/c1-25-10-12-27(13-11-25)21-23-19-18(20(29)24-22(30)26(19)2)28(21)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9H,10-14H2,1-2H3,(H,24,29,30)
InChIKey WYFZOUATTKSAMC-UHFFFAOYSA-N
Molecular Weight 404.474 g/mol
SMILES N1C(C2=C(N(C1=O)C)N=C(N2CC=1C=2C(=CC=CC2)C=CC1)N1CCN(CC1)C)=O