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2,4-bis( 9'-Benzyl-6'-purinyl)-1-phenylthiobutane

View entire compound with spectra: 1 MS (GC)

2,4-bis( 9'-Benzyl-6'-purinyl)-1-phenylthiobutane
SpectraBase Compound ID 2FN2RmDrVyA
InChI InChI=1S/C34H30N8S/c1-4-10-25(11-5-1)18-41-23-39-31-29(35-21-37-33(31)41)17-16-27(20-43-28-14-8-3-9-15-28)30-32-34(38-22-36-30)42(24-40-32)19-26-12-6-2-7-13-26/h1-15,21-24,27H,16-20H2
InChIKey NRINNNAHCMDRAV-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C34H30N8S
Exact Mass 582.231414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dfb5sYJXaU0
Name 2,4-bis( 9'-Benzyl-6'-purinyl)-1-phenylthiobutane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H30N8S
InChI InChI=1S/C34H30N8S/c1-4-10-25(11-5-1)18-41-23-39-31-29(35-21-37-33(31)41)17-16-27(20-43-28-14-8-3-9-15-28)30-32-34(38-22-36-30)42(24-40-32)19-26-12-6-2-7-13-26/h1-15,21-24,27H,16-20H2
InChIKey NRINNNAHCMDRAV-UHFFFAOYSA-N
Molecular Weight 582.730 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2C(CSc1ccccc1)CCc1c2c([n](Cc3ccccc3)cn2)ncn1
SPLASH splash10-006x-9140800000-ffe07dd679ee528b9f2a
Source of Spectrum SB-51-1121-4
Synonyms 2,4-bis(9-benzyl-9H-purin-6-yl)butyl phenyl sulfide 9-Benzyl-6-{3-(9-benzyl-9H-purin-6-yl)-1-[(phenylsulfanyl)methyl]propyl}-9H-purine
Wiley ID 1408671