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6-(Benzylthio)-9-p-anisyl-2-phenyl-purine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-(Benzylthio)-9-p-anisyl-2-phenyl-purine
SpectraBase Compound ID DB93n1TPRs5
InChI InChI=1S/C26H22N4OS/c1-31-22-14-12-19(13-15-22)16-30-18-27-23-25(30)28-24(21-10-6-3-7-11-21)29-26(23)32-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKey RYPCOBJYGJUCJR-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C26H22N4OS
Exact Mass 438.151433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJeVudbfCtA
Name 6-(Benzylthio)-9-p-anisyl-2-phenyl-purine
Comments Computed using HOSE algorithm
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Exact Mass 438.151432517 u
Formula C26H22N4OS
InChI InChI=1S/C26H22N4OS/c1-31-22-14-12-19(13-15-22)16-30-18-27-23-25(30)28-24(21-10-6-3-7-11-21)29-26(23)32-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKey RYPCOBJYGJUCJR-UHFFFAOYSA-N
Molecular Weight 438.549 g/mol
SMILES C1=NC2=C(N=C(N=C2N1CC=1C=CC(=CC1)OC)C=1C=CC=CC1)SCC=1C=CC=CC1