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2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(pyridin-2-ylamino)pyrimidine-5-carbonitrile
SpectraBase Compound ID A1mTmaMaFho
InChI InChI=1S/C24H17N7S/c25-14-17-22(16-8-2-1-3-9-16)30-24(31-23(17)29-20-12-6-7-13-26-20)32-15-21-27-18-10-4-5-11-19(18)28-21/h1-13H,15H2,(H,27,28)(H,26,29,30,31)
InChIKey DNKXCJCDECEGGT-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 FGkHxCazBvO
Name 2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(pyridin-2-ylamino)pyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H17N7S
InChI InChI=1S/C24H17N7S/c25-14-17-22(16-8-2-1-3-9-16)30-24(31-23(17)29-20-12-6-7-13-26-20)32-15-21-27-18-10-4-5-11-19(18)28-21/h1-13H,15H2,(H,27,28)(H,26,29,30,31)
InChIKey DNKXCJCDECEGGT-UHFFFAOYSA-N
Molecular Weight 435.509 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)-c1ccccc1)C#N)Nc1ncccc1
SPLASH splash10-0a4i-9000000000-7dda417f71ff4084f8df
Source of Spectrum F2-45-2341-10
Synonyms 2-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-6-(2-pyridinylamino)-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(2-pyridylamino)pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-(pyridin-2-ylamino)pyrimidine-5-carbonitrile
Wiley ID 1689194