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

SpectraBase Compound ID	LH2k1W8KqjS
InChI	InChI=1S/C30H25N7OS/c31-19-23-27(21-9-3-1-4-10-21)34-30(39-20-26-32-24-13-7-8-14-25(24)33-26)35-28(23)36-15-17-37(18-16-36)29(38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,32,33)
InChIKey	YRIBSJUIWGKKLF-UHFFFAOYSA-N Google Search
Mol Weight	531.64 g/mol
Molecular Formula	C30H25N7OS
Exact Mass	531.18413 g/mol

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SpectraBase Spectrum ID	2rA1pjurzL6
Name	2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-benzoylpiperazin-1-yl)pyrimidine-5-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H25N7OS
InChI	InChI=1S/C30H25N7OS/c31-19-23-27(21-9-3-1-4-10-21)34-30(39-20-26-32-24-13-7-8-14-25(24)33-26)35-28(23)36-15-17-37(18-16-36)29(38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,32,33)
InChIKey	YRIBSJUIWGKKLF-UHFFFAOYSA-N
Molecular Weight	531.638 g/mol
SMILES	[nH]1c2ccccc2nc1CSc1nc(c(c(-c2ccccc2)n1)C#N)N1CCN(C(=O)c2ccccc2)CC1
SPLASH	splash10-0udi-0900000000-8e9f1bceef04fdb868fc
Source of Spectrum	F2-45-2342-17
Synonyms	2-(1H-benzimidazol-2-ylmethylthio)-4-(4-benzoyl-1-piperazinyl)-6-phenyl-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-benzoylpiperazin-1-yl)-6-phenylpyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(4-benzoylpiperazin-1-yl)-6-phenyl-pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(phenylcarbonyl)piperazin-1-yl]pyrimidine-5-carbonitrile
Wiley ID	1689188