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[1,2,4]Triazolo[3,4-a]phthalazine, 3-methyl-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-
SpectraBase Compound ID 5Mpp9x7Snx6
InChI InChI=1S/C21H21N5O2S/c1-14-9-10-16(13-19(14)29(27,28)25-11-5-6-12-25)20-17-7-3-4-8-18(17)21-23-22-15(2)26(21)24-20/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey FEPGAGFBLVLTEV-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRjVCEAaxOf
Name [1,2,4]Triazolo[3,4-a]phthalazine, 3-methyl-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O2S
InChI InChI=1S/C21H21N5O2S/c1-14-9-10-16(13-19(14)29(27,28)25-11-5-6-12-25)20-17-7-3-4-8-18(17)21-23-22-15(2)26(21)24-20/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey FEPGAGFBLVLTEV-UHFFFAOYSA-N
Molecular Weight 407.492 g/mol
SMILES Cc1nnc2-c3c(C(=N[n]12)c1cc(c(cc1)C)S(=O)(=O)N1CCCC1)cccc3
SPLASH splash10-00dl-9320000000-d817d77985419d2fe5e9
Source of Spectrum IY-1-4587-6
Synonyms 3-Methyl-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine 3-Methyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine 3-Methyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine
Wiley ID 1653859