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9-Benzyl-6-(phenylthioethyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

9-Benzyl-6-(phenylthioethyl)-9H-purine
SpectraBase Compound ID Cd5VrrYgMyK
InChI InChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24-15-23-19-18(21-14-22-20(19)24)11-12-25-17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
InChIKey UWSSQDDQUVYYAL-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C20H18N4S
Exact Mass 346.125218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PM4NgYiWV3
Name 9-Benzyl-6-(phenylthioethyl)-9H-purine
Alternate Name(s) 2-(9-benzyl-9H-purin-6-yl)ethyl phenyl sulfide 9-Benzyl-6-[2-(phenylsulfanyl)ethyl]-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4S
InChI InChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24-15-23-19-18(21-14-22-20(19)24)11-12-25-17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
InChIKey UWSSQDDQUVYYAL-UHFFFAOYSA-N
Molecular Weight 346.452 g/mol
SMILES c12[n](cnc2c(CCSc2ccccc2)ncn1)Cc1ccccc1
SPLASH splash10-000l-8190000000-f55a1f5d8d15640dcb9a
Source of Spectrum SB-51-1120-3
Wiley ID 1339330