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2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile
SpectraBase Compound ID KVeFoOfmxSh
InChI InChI=1S/C20H16N6S/c1-22-19-14(11-21)18(13-7-3-2-4-8-13)25-20(26-19)27-12-17-23-15-9-5-6-10-16(15)24-17/h2-10H,12H2,1H3,(H,23,24)(H,22,25,26)
InChIKey CJCPBDCMMJICGG-UHFFFAOYSA-N
Mol Weight 372.45 g/mol
Molecular Formula C20H16N6S
Exact Mass 372.115716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxFFYK0TpQT
Name 2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C20H16N6S
InChI InChI=1S/C20H16N6S/c1-22-19-14(11-21)18(13-7-3-2-4-8-13)25-20(26-19)27-12-17-23-15-9-5-6-10-16(15)24-17/h2-10H,12H2,1H3,(H,23,24)(H,22,25,26)
InChIKey CJCPBDCMMJICGG-UHFFFAOYSA-N
Molecular Weight 372.450 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)NC)C#N)-c1ccccc1
SPLASH splash10-000i-0090000000-5f78b3d89e594e7285dd
Source of Spectrum F2-45-2341-7
Synonyms 2-(1H-benzimidazol-2-ylmethylthio)-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile
Wiley ID 1689197