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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID KBdNKZLxFUa
InChI InChI=1S/C20H17N5O3S/c1-25-14-5-3-2-4-13(14)18-19(25)22-20(24-23-18)29-11-17(26)21-12-6-7-15-16(10-12)28-9-8-27-15/h2-7,10H,8-9,11H2,1H3,(H,21,26)
InChIKey SEICYBYRDXVTKL-UHFFFAOYSA-N
Mol Weight 407.45 g/mol
Molecular Formula C20H17N5O3S
Exact Mass 407.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WkxpmipvEi
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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Formula C20H17N5O3S
InChI InChI=1S/C20H17N5O3S/c1-25-14-5-3-2-4-13(14)18-19(25)22-20(24-23-18)29-11-17(26)21-12-6-7-15-16(10-12)28-9-8-27-15/h2-7,10H,8-9,11H2,1H3,(H,21,26)
InChIKey SEICYBYRDXVTKL-UHFFFAOYSA-N
Molecular Weight 407.448 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2C)nn1)=O)c1cc2c(OCCO2)cc1
SPLASH splash10-0a4i-0490000000-d2d7230b16be54911b3e
Synonyms N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide
Wiley ID 1443311