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

SpectraBase Compound ID	2sY9CfQb4Bl
InChI	InChI=1S/C31H27N7OS/c32-19-24-29(23-11-5-2-6-12-23)35-31(40-21-28-33-25-13-7-8-14-26(25)34-28)36-30(24)38-17-15-37(16-18-38)20-27(39)22-9-3-1-4-10-22/h1-14H,15-18,20-21H2,(H,33,34)
InChIKey	XREWJCSQIWZFSA-UHFFFAOYSA-N Google Search
Mol Weight	545.67 g/mol
Molecular Formula	C31H27N7OS
Exact Mass	545.19978 g/mol

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SpectraBase Spectrum ID	K96qvFDbgAV
Name	2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-(2-oxo-2-phenylethyl)piperazin-1-yl)pyrimidine-5-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H27N7OS
InChI	InChI=1S/C31H27N7OS/c32-19-24-29(23-11-5-2-6-12-23)35-31(40-21-28-33-25-13-7-8-14-26(25)34-28)36-30(24)38-17-15-37(16-18-38)20-27(39)22-9-3-1-4-10-22/h1-14H,15-18,20-21H2,(H,33,34)
InChIKey	XREWJCSQIWZFSA-UHFFFAOYSA-N
Molecular Weight	545.665 g/mol
SMILES	[nH]1c2ccccc2nc1CSc1nc(c(c(-c2ccccc2)n1)C#N)N1CCN(CC1)CC(=O)c1ccccc1
SPLASH	splash10-0udi-0090000000-c9e1ab0af77328aefe5b
Source of Spectrum	F2-45-2342-20
Synonyms	2-(1H-benzimidazol-2-ylmethylthio)-4-(4-phenacyl-1-piperazinyl)-6-phenyl-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-phenacylpiperazin-1-yl)-6-phenylpyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-phenacylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile
Wiley ID	1689185