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2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-(ethylamino)-6-phenylpyrimidine-5-carbonitrile
SpectraBase Compound ID HuDZtPj3SXA
InChI InChI=1S/C21H18N6S/c1-2-23-20-15(12-22)19(14-8-4-3-5-9-14)26-21(27-20)28-13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,13H2,1H3,(H,24,25)(H,23,26,27)
InChIKey UXXVYNKKHWDMRG-UHFFFAOYSA-N
Mol Weight 386.48 g/mol
Molecular Formula C21H18N6S
Exact Mass 386.131366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bm0rmCH4Tcz
Name 2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-(ethylamino)-6-phenylpyrimidine-5-carbonitrile
Alternate Name(s) 2-(1H-benzimidazol-2-ylmethylthio)-4-(ethylamino)-6-phenyl-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(ethylamino)-6-phenylpyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(ethylamino)-6-phenyl-pyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C21H18N6S
InChI InChI=1S/C21H18N6S/c1-2-23-20-15(12-22)19(14-8-4-3-5-9-14)26-21(27-20)28-13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,13H2,1H3,(H,24,25)(H,23,26,27)
InChIKey UXXVYNKKHWDMRG-UHFFFAOYSA-N
Molecular Weight 386.477 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)NCC)C#N)-c1ccccc1
SPLASH splash10-014i-0094000000-72f0bb68bf172e956a0b
Source of Spectrum F2-45-2341-8
Wiley ID 1689196