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2,4-bis[(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile
SpectraBase Compound ID 19I46hhsDTZ
InChI InChI=1S/C24H27N5O4S3/c25-14-19-22(34-15-18-4-2-1-3-5-18)26-24(36-17-21(31)29-8-12-33-13-9-29)27-23(19)35-16-20(30)28-6-10-32-11-7-28/h1-5H,6-13,15-17H2
InChIKey NACUSAOATJQNJV-UHFFFAOYSA-N
Mol Weight 545.69 g/mol
Molecular Formula C24H27N5O4S3
Exact Mass 545.122518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRjz7weSASf
Name 2,4-bis[(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl]-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile
Alternate Name(s) 2,4-bis[[2-(4-morpholinyl)-2-oxoethyl]thio]-6-(phenylmethylthio)-5-pyrimidinecarbonitrile 4-(benzylthio)-2,6-bis[(2-keto-2-morpholino-ethyl)thio]pyrimidine-5-carbonitrile 4-Benzylsulfanyl-2,6-bis[(2-morpholin-4-yl-2-oxoethyl)sulfanyl]pyrimidine-5-carbonitrile 4-Benzylsulfanyl-2,6-bis[(2-morpholino-2-oxo-ethyl)sulfanyl]pyrimidine-5-carbonitrile
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Formula C24H27N5O4S3
InChI InChI=1S/C24H27N5O4S3/c25-14-19-22(34-15-18-4-2-1-3-5-18)26-24(36-17-21(31)29-8-12-33-13-9-29)27-23(19)35-16-20(30)28-6-10-32-11-7-28/h1-5H,6-13,15-17H2
InChIKey NACUSAOATJQNJV-UHFFFAOYSA-N
Molecular Weight 545.691 g/mol
SMILES c1(nc(c(c(n1)SCc1ccccc1)C#N)SCC(=O)N1CCOCC1)SCC(=O)N1CCOCC1
SPLASH splash10-0006-9000320000-b32a0d5a72a5ebaa1eda
Source of Spectrum AJ-42-844-7
Wiley ID 1568031