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8-(ethylsulfanyl)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-(ethylsulfanyl)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9Dbs9MMROQp
InChI InChI=1S/C20H20N4O2S/c1-4-27-19-21-17-16(18(25)23(3)20(26)22(17)2)24(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,4,12H2,1-3H3
InChIKey URJZGSNAIPCDIZ-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C20H20N4O2S
Exact Mass 380.130697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8ilkSLofF9
Name 8-(Ethylsulfanyl)-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 380.130697072 u
Formula C20H20N4O2S
InChI InChI=1S/C20H20N4O2S/c1-4-27-19-21-17-16(18(25)23(3)20(26)22(17)2)24(19)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,4,12H2,1-3H3
InChIKey URJZGSNAIPCDIZ-UHFFFAOYSA-N
Molecular Weight 380.466 g/mol
SMILES C12=C(N(CC=3C=4C(=CC=CC4)C=CC3)C(=N1)SCC)C(=O)N(C(N2C)=O)C