CHEBI:116573 - 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone

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ChEBI Name 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone
ChEBI ID CHEBI:116573
Stars This entity has been manually annotated by a third party.
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Formula C19H21ClN6O3S2
Net Charge 0
Average Mass 480.994
Monoisotopic Mass 480.08051
InChI InChI=1S/C19H21ClN6O3S2/c1-13-11-14(2)26-18(21-13)22-23-19(26)30-12-17(27)24-7-9-25(10-8-24)31(28,29)16-5-3-15(20)4-6-16/h3-6,11H,7-10,12H2,1-2H3
InChIKey PDDXDBGCCXRJGU-UHFFFAOYSA-N
SMILES CC1=CC(=NC2=NN=C(N12)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)C
ChEBI Ontology
Outgoing 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone (CHEBI:116573) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-28028 LINCS
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