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

*Links on SpectraBase are not permalinks.
N-(tert-butyl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
SpectraBase Compound ID C8cqhayofRd
InChI InChI=1S/C20H24ClN5O3S/c1-20(2,3)23-14(27)11-30-18-22-16-15(17(28)25(5)19(29)24(16)4)26(18)10-12-7-6-8-13(21)9-12/h6-9H,10-11H2,1-5H3,(H,23,27)
InChIKey LCUWPOFFJVUPRB-UHFFFAOYSA-N
Mol Weight 449.96 g/mol
Molecular Formula C20H24ClN5O3S
Exact Mass 449.128839 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 3yVnmgYkeTh
Name N-(tert-butyl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24ClN5O3S
InChI InChI=1S/C20H24ClN5O3S/c1-20(2,3)23-14(27)11-30-18-22-16-15(17(28)25(5)19(29)24(16)4)26(18)10-12-7-6-8-13(21)9-12/h6-9H,10-11H2,1-5H3,(H,23,27)
InChIKey LCUWPOFFJVUPRB-UHFFFAOYSA-N
Molecular Weight 449.957 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1cc(Cl)ccc1)C(=O)N(C(N2C)=O)C)=O)C(C)(C)C
SPLASH splash10-004i-9731100000-661860b390bc6ddcf0b4
Synonyms N-tert-butyl-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-tert-butyl-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-tert-butyl-2-[[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide N-tert-butyl-2-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
Wiley ID 1460201