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1-(2-((1H-Benzo[d]imidazol-2-yl)methylthio)-5-cyano-6-phenylpyrimidin-4-yl)urea
SpectraBase Compound ID 40NMqjzcmf
InChI InChI=1S/C20H15N7OS/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28)
InChIKey QZIDSINUCYUSGM-UHFFFAOYSA-N
Mol Weight 401.45 g/mol
Molecular Formula C20H15N7OS
Exact Mass 401.105879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AdEEbEyrIZ
Name 1-(2-((1H-Benzo[d]imidazol-2-yl)methylthio)-5-cyano-6-phenylpyrimidin-4-yl)urea
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N7OS
InChI InChI=1S/C20H15N7OS/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28)
InChIKey QZIDSINUCYUSGM-UHFFFAOYSA-N
Molecular Weight 401.448 g/mol
SMILES [nH]1c2ccccc2nc1CSc1nc(c(c(n1)-c1ccccc1)C#N)NC(=O)N
SPLASH splash10-0002-0009300000-908d3f7fcf985499db50
Source of Spectrum F2-45-2342-14
Synonyms [2-(1H-benzimidazol-2-ylmethylthio)-5-cyano-6-phenyl-4-pyrimidinyl]urea [2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenylpyrimidin-4-yl]urea [2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]urea 1-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-6-phenyl-pyrimidin-4-yl]urea
Wiley ID 1689190