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2-Amino-6-(2-hydroxy-cyclohex-2-enylsulfanyl)-4-(4-isopropyl-phenyl)-pyridine-3,5-dicarbonitrile
SpectraBase Compound ID JYRJFKs5L5R
InChI InChI=1S/C22H22N4OS/c1-13(2)14-7-9-15(10-8-14)20-16(11-23)21(25)26-22(17(20)12-24)28-19-6-4-3-5-18(19)27/h5,7-10,13,19,27H,3-4,6H2,1-2H3,(H2,25,26)
InChIKey FDZDXNWMYUADHO-UHFFFAOYSA-N
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoT72RVffOI
Name 2-Amino-6-(2-hydroxy-cyclohex-2-enylsulfanyl)-4-(4-isopropyl-phenyl)-pyridine-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4OS
InChI InChI=1S/C22H22N4OS/c1-13(2)14-7-9-15(10-8-14)20-16(11-23)21(25)26-22(17(20)12-24)28-19-6-4-3-5-18(19)27/h5,7-10,13,19,27H,3-4,6H2,1-2H3,(H2,25,26)
InChIKey FDZDXNWMYUADHO-UHFFFAOYSA-N
Molecular Weight 390.505 g/mol
SMILES Nc1nc(SC2C(=CCCC2)O)c(c(c1C#N)-c1ccc(cc1)C(C)C)C#N
SPLASH splash10-0006-9122000000-db1fe4b7cf954c8a3b43
Synonyms 2-Amino-6-[(2-hydroxy-2-cyclohexen-1-yl)sulfanyl]-4-(4-isopropylphenyl)-3,5-pyridinedicarbonitrile
Wiley ID 1453331