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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
SpectraBase Compound ID DGeuEerQuSB
InChI InChI=1S/C24H22FN5O5S/c1-28-21-20(22(32)29(2)24(28)33)30(12-14-5-3-4-6-16(14)25)23(27-21)36-13-19(31)26-15-7-8-17-18(11-15)35-10-9-34-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,26,31)
InChIKey BPJCEQQQFCBNDH-UHFFFAOYSA-N
Mol Weight 511.53 g/mol
Molecular Formula C24H22FN5O5S
Exact Mass 511.132568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwB6NzLEe5k
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
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Formula C24H22FN5O5S
InChI InChI=1S/C24H22FN5O5S/c1-28-21-20(22(32)29(2)24(28)33)30(12-14-5-3-4-6-16(14)25)23(27-21)36-13-19(31)26-15-7-8-17-18(11-15)35-10-9-34-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,26,31)
InChIKey BPJCEQQQFCBNDH-UHFFFAOYSA-N
Molecular Weight 511.528 g/mol
SMILES N(C(CSc1[n](Cc2c(cccc2)F)c2C(=O)N(C(=O)N(c2n1)C)C)=O)c1ccc2c(c1)OCCO2
SPLASH splash10-0a4i-9700000000-341bd93758fef95e7636
Synonyms N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-acetamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[7-(2-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
Wiley ID 1445687