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2-Phenyl-9-(phenylmethyl)-6-(phenylmethylsulfanyl)purine

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

2-Phenyl-9-(phenylmethyl)-6-(phenylmethylsulfanyl)purine
SpectraBase Compound ID 2AjuInR6oPT
InChI InChI=1S/C25H20N4S/c1-4-10-19(11-5-1)16-29-18-26-22-24(29)27-23(21-14-8-3-9-15-21)28-25(22)30-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2
InChIKey XTORYRSSODOJQN-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C25H20N4S
Exact Mass 408.140868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6vYCYhzBac
Name 2-Phenyl-9-(phenylmethyl)-6-(phenylmethylsulfanyl)purine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.140867834 u
Formula C25H20N4S
InChI InChI=1S/C25H20N4S/c1-4-10-19(11-5-1)16-29-18-26-22-24(29)27-23(21-14-8-3-9-15-21)28-25(22)30-17-20-12-6-2-7-13-20/h1-15,18H,16-17H2
InChIKey XTORYRSSODOJQN-UHFFFAOYSA-N
Molecular Weight 408.523 g/mol
SMILES C1=NC2=C(N=C(N=C2N1CC=1C=CC=CC1)C=1C=CC=CC1)SCC=1C=CC=CC1