For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N(6)-Benzoyl-9-(trans-2',2'-dioxoperhydrocyclopenta[c]thiin-6'-yl)-9H-adenine
SpectraBase Compound ID 6XfNw849K0D
InChI InChI=1S/C20H21N5O3S/c26-20(13-4-2-1-3-5-13)24-18-17-19(22-11-21-18)25(12-23-17)16-8-14-6-7-29(27,28)10-15(14)9-16/h1-5,11-12,14-16H,6-10H2,(H,21,22,24,26)/t14-,15+,16?/m0/s1
InChIKey FFDYLCASGJCQRB-QMRHZFGWSA-N
Mol Weight 411.48 g/mol
Molecular Formula C20H21N5O3S
Exact Mass 411.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G9sfy3jsHDS
Name N(6)-Benzoyl-9-(trans-2',2'-dioxoperhydrocyclopenta[c]thiin-6'-yl)-9H-adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5O3S
InChI InChI=1S/C20H21N5O3S/c26-20(13-4-2-1-3-5-13)24-18-17-19(22-11-21-18)25(12-23-17)16-8-14-6-7-29(27,28)10-15(14)9-16/h1-5,11-12,14-16H,6-10H2,(H,21,22,24,26)/t14-,15+,16?/m0/s1
InChIKey FFDYLCASGJCQRB-QMRHZFGWSA-N
Molecular Weight 411.480 g/mol
SMILES N(c1c2c([n](cn2)C2C[C@@]3(CS(=O)(=O)CC[C@]3(C2)[H])[H])ncn1)C(=O)c1ccccc1
SPLASH splash10-067i-9113000000-013975edb545606534d8
Source of Spectrum H-76-258-24
Synonyms N-{9-[(4aR,7aS)-2,2-dioxidooctahydrocyclopenta[c]thiopyran-6-yl]-9H-purin-6-yl}benzamide
Wiley ID 1374048