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

SpectraBase Compound ID	FkLyepHKsa6
InChI	InChI=1S/C30H24N8O3S/c31-18-23-27(20-6-2-1-3-7-20)34-30(42-19-26-32-24-8-4-5-9-25(24)33-26)35-28(23)36-14-16-37(17-15-36)29(39)21-10-12-22(13-11-21)38(40)41/h1-13H,14-17,19H2,(H,32,33)
InChIKey	IBSWHBMHIQQOFP-UHFFFAOYSA-N Google Search
Mol Weight	576.64 g/mol
Molecular Formula	C30H24N8O3S
Exact Mass	576.169208 g/mol

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SpectraBase Spectrum ID	89nNZcrsSxV
Name	2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-(4-nitrobenzoyl)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	C30H24N8O3S
InChI	InChI=1S/C30H24N8O3S/c31-18-23-27(20-6-2-1-3-7-20)34-30(42-19-26-32-24-8-4-5-9-25(24)33-26)35-28(23)36-14-16-37(17-15-36)29(39)21-10-12-22(13-11-21)38(40)41/h1-13H,14-17,19H2,(H,32,33)
InChIKey	IBSWHBMHIQQOFP-UHFFFAOYSA-N
Molecular Weight	576.635 g/mol
SMILES	[nH]1c2ccccc2nc1CSc1nc(c(c(-c2ccccc2)n1)C#N)N1CCN(C(c2ccc(N(=O)=O)cc2)=O)CC1
SPLASH	splash10-0udi-0900000000-eb1b9063595c3400f410
Source of Spectrum	F2-45-2342-18
Synonyms	2-(1H-benzimidazol-2-ylmethylthio)-4-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-nitrobenzoyl)piperazin-1-yl]-6-phenylpyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-nitrobenzoyl)piperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile 2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-6-phenyl-pyrimidine-5-carbonitrile
Wiley ID	1689187