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acetamide, 2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[2-(3,4-diethoxyphenyl)ethyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

acetamide, 2-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-[2-(3,4-diethoxyphenyl)ethyl]-
SpectraBase Compound ID KByA9cudCSP
InChI InChI=1S/C28H32ClN5O5S/c1-5-38-21-12-11-18(15-22(21)39-6-2)13-14-30-23(35)17-40-27-31-25-24(26(36)33(4)28(37)32(25)3)34(27)16-19-9-7-8-10-20(19)29/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,30,35)
InChIKey MUYOLNPGJSRMIZ-UHFFFAOYSA-N
Mol Weight 586.1 g/mol
Molecular Formula C28H32ClN5O5S
Exact Mass 585.181268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5cUpsu9yjP
Name 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32ClN5O5S
InChI InChI=1S/C28H32ClN5O5S/c1-5-38-21-12-11-18(15-22(21)39-6-2)13-14-30-23(35)17-40-27-31-25-24(26(36)33(4)28(37)32(25)3)34(27)16-19-9-7-8-10-20(19)29/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,30,35)
InChIKey MUYOLNPGJSRMIZ-UHFFFAOYSA-N
Molecular Weight 586.107 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1c(Cl)cccc1)C(=O)N(C(N2C)=O)C)=O)CCc1cc(OCC)c(cc1)OCC
SPLASH splash10-0006-2900000000-8e6b6b1ed48ca0da41d7
Synonyms 2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide 2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide 2-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Wiley ID 1462582