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1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-methyl-2-oxo-2-phenylethyl)-8-(1-piperidinyl)-
SpectraBase Compound ID BPVXlVMP2I7
InChI InChI=1S/C21H25N5O3/c1-14(17(27)15-10-6-4-7-11-15)26-16-18(23(2)21(29)24(3)19(16)28)22-20(26)25-12-8-5-9-13-25/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKey CWIFDWUCXQNGRH-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C21H25N5O3
Exact Mass 395.19574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FovABYgWdB7
Name 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-methyl-2-oxo-2-phenylethyl)-8-(1-piperidinyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.195739682 u
Formula C21H25N5O3
InChI InChI=1S/C21H25N5O3/c1-14(17(27)15-10-6-4-7-11-15)26-16-18(23(2)21(29)24(3)19(16)28)22-20(26)25-12-8-5-9-13-25/h4,6-7,10-11,14H,5,8-9,12-13H2,1-3H3
InChIKey CWIFDWUCXQNGRH-UHFFFAOYSA-N
Molecular Weight 395.463 g/mol
SMILES C12=C(N(C(C(=O)C3=CC=CC=C3)C)C(=N1)N1CCCCC1)C(=O)N(C(N2C)=O)C