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7-(4-Chlorophenyl)-5-methyl-6-(1-piperidinylsulfonyl)4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
SpectraBase Compound ID JtGGLqrlnUk
InChI InChI=1S/C17H20ClN5O2S/c1-12-16(26(24,25)22-9-3-2-4-10-22)15(13-5-7-14(18)8-6-13)23-17(21-12)19-11-20-23/h5-8,11,15H,2-4,9-10H2,1H3,(H,19,20,21)
InChIKey LBPCJDNOGCGVDR-UHFFFAOYSA-N
Mol Weight 393.89 g/mol
Molecular Formula C17H20ClN5O2S
Exact Mass 393.102624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqCfpJWTZA9
Name 7-(4-Chlorophenyl)-5-methyl-6-(1-piperidinylsulfonyl)4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Alternate Name(s) 7-(4-Chlorophenyl)-5-methyl-6-(piperidin-1-ylsulfonyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20ClN5O2S
InChI InChI=1S/C17H20ClN5O2S/c1-12-16(26(24,25)22-9-3-2-4-10-22)15(13-5-7-14(18)8-6-13)23-17(21-12)19-11-20-23/h5-8,11,15H,2-4,9-10H2,1H3,(H,19,20,21)
InChIKey LBPCJDNOGCGVDR-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1759-5
Molecular Weight 393.893 g/mol
SMILES N1c2[n](C(C(=C1C)S(N1CCCCC1)(=O)=O)c1ccc(cc1)Cl)ncn2
SPLASH splash10-053s-5290000000-1d20beb370c66a3dbfb4
Source of Spectrum HC-51-693-4c
Wiley ID 1800788