| 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 |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1689185 |
![2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-(2-oxo-2-phenylethyl)piperazin-1-yl)pyrimidine-5-carbonitrile](/api/spectrum/K96qvFDbgAV/structure.png?h=300&w=458 "2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-(2-oxo-2-phenylethyl)piperazin-1-yl)pyrimidine-5-carbonitrile")
