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2,4-bis[(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile
SpectraBase Compound ID A2T73jcX4eN
InChI InChI=1S/C26H31N5O2S3/c27-16-21-24(34-17-20-10-4-1-5-11-20)28-26(36-19-23(33)31-14-8-3-9-15-31)29-25(21)35-18-22(32)30-12-6-2-7-13-30/h1,4-5,10-11H,2-3,6-9,12-15,17-19H2
InChIKey YDRYLDKJYMWAFC-UHFFFAOYSA-N
Mol Weight 541.75 g/mol
Molecular Formula C26H31N5O2S3
Exact Mass 541.163989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cHO6rahQdJ
Name 2,4-bis[(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile
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Formula C26H31N5O2S3
InChI InChI=1S/C26H31N5O2S3/c27-16-21-24(34-17-20-10-4-1-5-11-20)28-26(36-19-23(33)31-14-8-3-9-15-31)29-25(21)35-18-22(32)30-12-6-2-7-13-30/h1,4-5,10-11H,2-3,6-9,12-15,17-19H2
InChIKey YDRYLDKJYMWAFC-UHFFFAOYSA-N
Molecular Weight 541.747 g/mol
SMILES c1(nc(c(c(n1)SCc1ccccc1)C#N)SCC(=O)N1CCCCC1)SCC(=O)N1CCCCC1
SPLASH splash10-0006-9000080000-6b09b4be2f08b99d51f8
Source of Spectrum AJ-42-844-7
Synonyms 2,4-bis[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-(phenylmethylthio)-5-pyrimidinecarbonitrile 4-(benzylthio)-2,6-bis[(2-keto-2-piperidino-ethyl)thio]pyrimidine-5-carbonitrile 4-Benzylsulfanyl-2,6-bis[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]pyrimidine-5-carbonitrile 4-Benzylsulfanyl-2,6-bis[[2-oxo-2-(1-piperidyl)ethyl]sulfanyl]pyrimidine-5-carbonitrile
Wiley ID 1568030