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1,3-dimethyl-7-(3-phenylpropyl)-8-(1-piperidinylmethyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

1,3-dimethyl-7-(3-phenylpropyl)-8-(1-piperidinylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 6N79qT0lsuf
InChI InChI=1S/C22H29N5O2/c1-24-20-19(21(28)25(2)22(24)29)27(15-9-12-17-10-5-3-6-11-17)18(23-20)16-26-13-7-4-8-14-26/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3
InChIKey MATNVDGFLMKNBU-UHFFFAOYSA-N
Mol Weight 395.51 g/mol
Molecular Formula C22H29N5O2
Exact Mass 395.232125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQEBXPpUhvq
Name 1,3-Dimethyl-7-(3-phenylpropyl)-8-(1-piperidinylmethyl)-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 395.232125192 u
Formula C22H29N5O2
InChI InChI=1S/C22H29N5O2/c1-24-20-19(21(28)25(2)22(24)29)27(15-9-12-17-10-5-3-6-11-17)18(23-20)16-26-13-7-4-8-14-26/h3,5-6,10-11H,4,7-9,12-16H2,1-2H3
InChIKey MATNVDGFLMKNBU-UHFFFAOYSA-N
Molecular Weight 395.507 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCCC2=CC=CC=C2)C(=N1)CN1CCCCC1