2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(tosylpiperazin-1-yl)pyrimidine-5-carbonitrile

SpectraBase Compound ID	1t332bCvmaA
InChI	InChI=1S/C30H27N7O2S2/c1-21-11-13-23(14-12-21)41(38,39)37-17-15-36(16-18-37)29-24(19-31)28(22-7-3-2-4-8-22)34-30(35-29)40-20-27-32-25-9-5-6-10-26(25)33-27/h2-14H,15-18,20H2,1H3,(H,32,33)
InChIKey	PUHVAHQFIQMAMT-UHFFFAOYSA-N Google Search
Mol Weight	581.71 g/mol
Molecular Formula	C30H27N7O2S2
Exact Mass	581.166765 g/mol

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SpectraBase Spectrum ID	5AFvrpm4Yvn
Name	2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(tosylpiperazin-1-yl)pyrimidine-5-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H27N7O2S2
InChI	InChI=1S/C30H27N7O2S2/c1-21-11-13-23(14-12-21)41(38,39)37-17-15-36(16-18-37)29-24(19-31)28(22-7-3-2-4-8-22)34-30(35-29)40-20-27-32-25-9-5-6-10-26(25)33-27/h2-14H,15-18,20H2,1H3,(H,32,33)
InChIKey	PUHVAHQFIQMAMT-UHFFFAOYSA-N
Molecular Weight	581.713 g/mol
SMILES	[nH]1c2ccccc2nc1CSc1nc(N2CCN(S(c3ccc(cc3)C)(=O)=O)CC2)c(c(-c2ccccc2)n1)C#N
SPLASH	splash10-0006-9000000000-19781f3207475fbec935
Source of Spectrum	F2-45-2342-22
Synonyms	2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile
Wiley ID	1689183