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8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID B6Ox9IQihd5
InChI InChI=1S/C22H25N5O3/c1-24(2)12-13-30-21-23-19-18(20(28)26(4)22(29)25(19)3)27(21)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-14H2,1-4H3
InChIKey GABSCZFWNGPNJF-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C22H25N5O3
Exact Mass 407.19574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkYwlh1Ltyc
Name 8-[2-(Dimethylamino)ethoxy]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 407.195739682 u
Formula C22H25N5O3
InChI InChI=1S/C22H25N5O3/c1-24(2)12-13-30-21-23-19-18(20(28)26(4)22(29)25(19)3)27(21)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-14H2,1-4H3
InChIKey GABSCZFWNGPNJF-UHFFFAOYSA-N
Molecular Weight 407.474 g/mol
SMILES C12=C(N(CC=3C=4C(=CC=CC4)C=CC3)C(=N1)OCCN(C)C)C(=O)N(C(N2C)=O)C