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5-[[[2-[[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]amino]methyl]-2-furancarboxylic acid ethyl ester
SpectraBase Compound ID 56FzQDfkaOv
InChI InChI=1S/C25H27N5O6S/c1-5-35-23(33)18-11-10-17(36-18)12-26-19(31)14-37-24-27-21-20(22(32)29(4)25(34)28(21)3)30(24)13-16-9-7-6-8-15(16)2/h6-11H,5,12-14H2,1-4H3,(H,26,31)
InChIKey MMXHJVBCTFJKFG-UHFFFAOYSA-N
Mol Weight 525.58 g/mol
Molecular Formula C25H27N5O6S
Exact Mass 525.168205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r6eVn9DKDH
Name 5-[[[2-[[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]amino]methyl]-2-furancarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N5O6S
InChI InChI=1S/C25H27N5O6S/c1-5-35-23(33)18-11-10-17(36-18)12-26-19(31)14-37-24-27-21-20(22(32)29(4)25(34)28(21)3)30(24)13-16-9-7-6-8-15(16)2/h6-11H,5,12-14H2,1-4H3,(H,26,31)
InChIKey MMXHJVBCTFJKFG-UHFFFAOYSA-N
Molecular Weight 525.580 g/mol
SMILES N(C(CSc1nc2c(C(N(C)C(N2C)=O)=O)[n]1Cc1c(cccc1)C)=O)Cc1oc(cc1)C(=O)OCC
SPLASH splash10-0a4i-2920000000-0a4af4c44404496fee97
Synonyms 5-[[[2-[[2,6-diketo-1,3-dimethyl-7-(2-methylbenzyl)purin-8-yl]thio]acetyl]amino]methyl]furan-2-carboxylic acid ethyl ester Ethyl 5-[[2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]methyl]furan-2-carboxylate Ethyl 5-[[[2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetyl]amino]methyl]furan-2-carboxylate Ethyl 5-[[[2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetyl]amino]methyl]furan-2-carboxylate
Wiley ID 1512448