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2-Amino-6-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-4-propylpyridine-3,5-dicarbonitrile
SpectraBase Compound ID 5GnIEfFnXVx
InChI InChI=1S/C23H27ClN6S/c1-2-5-19-20(15-25)22(27)28-23(21(19)16-26)31-13-4-8-29-9-11-30(12-10-29)18-7-3-6-17(24)14-18/h3,6-7,14H,2,4-5,8-13H2,1H3,(H2,27,28)
InChIKey PGBXHVMSJFDGEU-UHFFFAOYSA-N
Mol Weight 455.02 g/mol
Molecular Formula C23H27ClN6S
Exact Mass 454.170644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3dUmUkhhdQ
Name 2-Amino-6-[3-[4-(3-chlorophenyl)-1-piperazinyl]propylthio]-4-propylpyridine-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27ClN6S
InChI InChI=1S/C23H27ClN6S/c1-2-5-19-20(15-25)22(27)28-23(21(19)16-26)31-13-4-8-29-9-11-30(12-10-29)18-7-3-6-17(24)14-18/h3,6-7,14H,2,4-5,8-13H2,1H3,(H2,27,28)
InChIKey PGBXHVMSJFDGEU-UHFFFAOYSA-N
Molecular Weight 455.024 g/mol
SMILES Nc1c(c(c(c(n1)SCCCN1CCN(CC1)c1cc(Cl)ccc1)C#N)CCC)C#N
SPLASH splash10-0a4l-9440000000-11196a0b2404be987e9f
Synonyms 2-Amino-6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-4-propyl-pyridine-3,5-dicarbonitrile 2-Amino-6-[3-[4-(3-chlorophenyl)piperazino]propylthio]-4-propyl-dinicotinonitrile 2-Azanyl-6-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-4-propyl-pyridine-3,5-dicarbonitrile
Wiley ID 1442356