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4-piperidinecarboxamide, N-(3,5-dimethoxyphenyl)-1-(7H-purin-6-yl)-

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4-piperidinecarboxamide, N-(3,5-dimethoxyphenyl)-1-(7H-purin-6-yl)-
SpectraBase Compound ID 3vDYSNfAatK
InChI InChI=1S/C19H22N6O3/c1-27-14-7-13(8-15(9-14)28-2)24-19(26)12-3-5-25(6-4-12)18-16-17(21-10-20-16)22-11-23-18/h7-12H,3-6H2,1-2H3,(H,24,26)(H,20,21,22,23)
InChIKey NVQJDPRASBZRSS-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C19H22N6O3
Exact Mass 382.175339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4B9PbuT1yzE
Name 4-Piperidinecarboxamide, N-(3,5-dimethoxyphenyl)-1-(7H-purin-6-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.175338589 u
Formula C19H22N6O3
InChI InChI=1S/C19H22N6O3/c1-27-14-7-13(8-15(9-14)28-2)24-19(26)12-3-5-25(6-4-12)18-16-17(21-10-20-16)22-11-23-18/h7-12H,3-6H2,1-2H3,(H,24,26)(H,20,21,22,23)
InChIKey NVQJDPRASBZRSS-UHFFFAOYSA-N
Molecular Weight 382.424 g/mol
SMILES N(C(C1CCN(C2=C3C(=NC=N2)N=CN3)CC1)=O)C1=CC(OC)=CC(=C1)OC