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N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID L1lQ7UqUQgG
InChI InChI=1S/C20H17N5O3S/c1-25-14-5-3-2-4-13(14)18-19(25)22-20(24-23-18)29-10-17(26)21-9-12-6-7-15-16(8-12)28-11-27-15/h2-8H,9-11H2,1H3,(H,21,26)
InChIKey DMCHQDMHGXBHMZ-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 EpzTMwUaZlN
Name N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O3S
InChI InChI=1S/C20H17N5O3S/c1-25-14-5-3-2-4-13(14)18-19(25)22-20(24-23-18)29-10-17(26)21-9-12-6-7-15-16(8-12)28-11-27-15/h2-8H,9-11H2,1H3,(H,21,26)
InChIKey DMCHQDMHGXBHMZ-UHFFFAOYSA-N
Molecular Weight 407.448 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2C)nn1)=O)Cc1cc2OCOc2cc1
SPLASH splash10-014i-1940000000-b31233ba61e2c25e7679
Synonyms 2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-piperonyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide
Wiley ID 1464273