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2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(thiazol-2-ylamino)pyrimidine-5-carbonitrile
SpectraBase Compound ID ESMxBRtlqZ5
InChI InChI=1S/C22H15N7S2/c23-12-15-19(14-6-2-1-3-7-14)27-22(29-20(15)28-21-24-10-11-30-21)31-13-18-25-16-8-4-5-9-17(16)26-18/h1-11H,13H2,(H,25,26)(H,24,27,28,29)
InChIKey NPIWTBKLISZNRA-UHFFFAOYSA-N
Mol Weight 441.53 g/mol
Molecular Formula C22H15N7S2
Exact Mass 441.083036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6yCJunfzrI
Name 2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(thiazol-2-ylamino)pyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C22H15N7S2
InChI InChI=1S/C22H15N7S2/c23-12-15-19(14-6-2-1-3-7-14)27-22(29-20(15)28-21-24-10-11-30-21)31-13-18-25-16-8-4-5-9-17(16)26-18/h1-11H,13H2,(H,25,26)(H,24,27,28,29)
InChIKey NPIWTBKLISZNRA-UHFFFAOYSA-N
Molecular Weight 441.531 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)-c1ccccc1)C#N)Nc1nccs1
SPLASH splash10-0udi-0900000000-960c3dff75de07a9b7f8
Source of Spectrum F2-45-2342-11
Synonyms 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(2-thiazolylamino)-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(thiazol-2-ylamino)pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(1,3-thiazol-2-ylamino)pyrimidine-5-carbonitrile
Wiley ID 1689193