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2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
SpectraBase Compound ID Flx4ToBEWRu
InChI InChI=1S/C24H17N7S/c25-14-18-22(16-6-2-1-3-7-16)30-24(31-23(18)27-17-10-12-26-13-11-17)32-15-21-28-19-8-4-5-9-20(19)29-21/h1-13H,15H2,(H,28,29)(H,26,27,30,31)
InChIKey ATOUUAVFBCLPCI-UHFFFAOYSA-N
Mol Weight 435.51 g/mol
Molecular Formula C24H17N7S
Exact Mass 435.126615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uXlTfMfB38
Name 2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H17N7S
InChI InChI=1S/C24H17N7S/c25-14-18-22(16-6-2-1-3-7-16)30-24(31-23(18)27-17-10-12-26-13-11-17)32-15-21-28-19-8-4-5-9-20(19)29-21/h1-13H,15H2,(H,28,29)(H,26,27,30,31)
InChIKey ATOUUAVFBCLPCI-UHFFFAOYSA-N
Molecular Weight 435.509 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)-c1ccccc1)C#N)Nc1ccncc1
SPLASH splash10-03di-0090000000-6502b331900a51e9a357
Source of Spectrum F2-45-2341-9
Synonyms 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(pyridin-4-ylamino)-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(4-pyridylamino)pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
Wiley ID 1689195