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7-(4-Chlorophenyl)-4,5-dimethyl-6-(1-piperidinylsulfonyl)4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
SpectraBase Compound ID CSwopjxM07
InChI InChI=1S/C18H22ClN5O2S/c1-13-17(27(25,26)23-10-4-3-5-11-23)16(14-6-8-15(19)9-7-14)24-18(22(13)2)20-12-21-24/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKey BRBNVHJBZIDEKT-UHFFFAOYSA-N
Mol Weight 407.92 g/mol
Molecular Formula C18H22ClN5O2S
Exact Mass 407.118274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkHsaEOMtYg
Name 7-(4-Chlorophenyl)-4,5-dimethyl-6-(1-piperidinylsulfonyl)4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClN5O2S
InChI InChI=1S/C18H22ClN5O2S/c1-13-17(27(25,26)23-10-4-3-5-11-23)16(14-6-8-15(19)9-7-14)24-18(22(13)2)20-12-21-24/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKey BRBNVHJBZIDEKT-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1759-5
Molecular Weight 407.920 g/mol
SMILES C1([n]2c(N(C(=C1S(N1CCCCC1)(=O)=O)C)C)ncn2)c1ccc(cc1)Cl
SPLASH splash10-01oy-1192100000-760f2cf6958c0e8d9df7
Source of Spectrum HC-51-694-6
Synonyms 7-(4-Chlorophenyl)-4,5-dimethyl-6-(piperidin-1-ylsulfonyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Wiley ID 1800792