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3,7-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl-)-butyl]-3,7-dihydropurine-2,6-dione

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3,7-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl-)-butyl]-3,7-dihydropurine-2,6-dione
SpectraBase Compound ID ETEzCHIiqDq
InChI InChI=1S/C19H26N8O2/c1-23-14-22-16-15(23)17(28)27(19(29)24(16)2)9-4-3-8-25-10-12-26(13-11-25)18-20-6-5-7-21-18/h5-7,14H,3-4,8-13H2,1-2H3
InChIKey DQOPYTUYVZCEJR-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C19H26N8O2
Exact Mass 398.217872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzXdzXZpdkQ
Name 3,7-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl-)-butyl]-3,7-dihydropurine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.217872107 u
Formula C19H26N8O2
InChI InChI=1S/C19H26N8O2/c1-23-14-22-16-15(23)17(28)27(19(29)24(16)2)9-4-3-8-25-10-12-26(13-11-25)18-20-6-5-7-21-18/h5-7,14H,3-4,8-13H2,1-2H3
InChIKey DQOPYTUYVZCEJR-UHFFFAOYSA-N
Molecular Weight 398.471 g/mol
SMILES C12=C(C(N(C(N2C)=O)CCCCN2CCN(C3=NC=CC=N3)CC2)=O)N(C)C=N1