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N-(1,3-benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide

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N-(1,3-benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
SpectraBase Compound ID UFY04JINYi
InChI InChI=1S/C23H20ClN5O5S/c1-27-20-19(21(31)28(2)23(27)32)29(10-13-4-3-5-14(24)8-13)22(26-20)35-11-18(30)25-15-6-7-16-17(9-15)34-12-33-16/h3-9H,10-12H2,1-2H3,(H,25,30)
InChIKey CLVNJCCVUGHTTK-UHFFFAOYSA-N
Mol Weight 513.96 g/mol
Molecular Formula C23H20ClN5O5S
Exact Mass 513.087368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jmSrgfS1HP
Name N-(1,3-benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
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Formula C23H20ClN5O5S
InChI InChI=1S/C23H20ClN5O5S/c1-27-20-19(21(31)28(2)23(27)32)29(10-13-4-3-5-14(24)8-13)22(26-20)35-11-18(30)25-15-6-7-16-17(9-15)34-12-33-16/h3-9H,10-12H2,1-2H3,(H,25,30)
InChIKey CLVNJCCVUGHTTK-UHFFFAOYSA-N
Molecular Weight 513.956 g/mol
SMILES N(C(CSc1nc2c([n]1Cc1cc(Cl)ccc1)C(=O)N(C(N2C)=O)C)=O)c1cc2OCOc2cc1
SPLASH splash10-004i-3911000000-8da41caf956bfbf66afa
Synonyms N-(1,3-benzodioxol-5-yl)-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-(1,3-benzodioxol-5-yl)-2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-(1,3-benzodioxol-5-yl)-2-[[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide N-(1,3-benzodioxol-5-yl)-2-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
Wiley ID 1463914