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

*Links on SpectraBase are not permalinks.
5-[[[2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]methyl]furan-2-carboxylic acid ethyl ester
SpectraBase Compound ID 4pRSVYygEz6
InChI InChI=1S/C24H24ClN5O6S/c1-4-35-22(33)17-10-9-15(36-17)11-26-18(31)13-37-23-27-20-19(21(32)29(3)24(34)28(20)2)30(23)12-14-7-5-6-8-16(14)25/h5-10H,4,11-13H2,1-3H3,(H,26,31)
InChIKey GPHZSDGBLLAPBH-UHFFFAOYSA-N
Mol Weight 546.0 g/mol
Molecular Formula C24H24ClN5O6S
Exact Mass 545.113582 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 9fyys4msQeH
Name 5-[[[2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]methyl]furan-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24ClN5O6S
InChI InChI=1S/C24H24ClN5O6S/c1-4-35-22(33)17-10-9-15(36-17)11-26-18(31)13-37-23-27-20-19(21(32)29(3)24(34)28(20)2)30(23)12-14-7-5-6-8-16(14)25/h5-10H,4,11-13H2,1-3H3,(H,26,31)
InChIKey GPHZSDGBLLAPBH-UHFFFAOYSA-N
Molecular Weight 545.998 g/mol
SMILES N(C(=O)CSc1nc2N(C(=O)N(C(=O)c2[n]1Cc1ccccc1Cl)C)C)Cc1oc(cc1)C(OCC)=O
SPLASH splash10-0fb9-7921000000-d638f5d2bc479e31bb4c
Synonyms 5-[[[2-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]amino]methyl]-2-furancarboxylic acid ethyl ester Ethyl 5-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]methyl]furan-2-carboxylate Ethyl 5-[[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetyl]amino]methyl]furan-2-carboxylate
Wiley ID 1512399