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8-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DkAGIrZVkCM
InChI InChI=1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKey WILVAFPPCXBQGR-UHFFFAOYSA-N
Mol Weight 384.44 g/mol
Molecular Formula C19H24N6O3
Exact Mass 384.190989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DD09KszJmXJ
Name 8-{[4-(4-Methoxyphenyl)-1-piperazinyl]methyl}-1,3-dimethyl-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 384.190988654 u
Formula C19H24N6O3
InChI InChI=1S/C19H24N6O3/c1-22-17-16(18(26)23(2)19(22)27)20-15(21-17)12-24-8-10-25(11-9-24)13-4-6-14(28-3)7-5-13/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKey WILVAFPPCXBQGR-UHFFFAOYSA-N
Molecular Weight 384.440 g/mol
SMILES N1C(=NC2=C1C(N(C(N2C)=O)C)=O)CN1CCN(CC1)C1=CC=C(C=C1)OC