| SpectraBase Spectrum ID |
JsuR82LnuYn |
| Name |
2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(4-(2-phenylacetyl)piperazin-1-yl)pyrimidine-5-carbonitrile |
| Alternate Name(s) |
2-(1H-benzimidazol-2-ylmethylthio)-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-6-phenyl-5-pyrimidinecarbonitrile
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(2-phenylacetyl)piperazin-1-yl]pyrimidine-5-carbonitrile
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-6-[4-(2-phenylethanoyl)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/c32-20-24-29(23-11-5-2-6-12-23)35-31(40-21-27-33-25-13-7-8-14-26(25)34-27)36-30(24)38-17-15-37(16-18-38)28(39)19-22-9-3-1-4-10-22/h1-14H,15-19,21H2,(H,33,34) |
| InChIKey |
CRUPDBMKEMXYCJ-UHFFFAOYSA-N |
| Molecular Weight |
545.665 g/mol |
| SMILES |
[nH]1c2ccccc2nc1CSc1nc(c(c(-c2ccccc2)n1)C#N)N1CCN(CC1)C(Cc1ccccc1)=O |
| SPLASH |
splash10-0a4i-0900000000-56d00c033517dac7be57 |
| Source of Spectrum |
F2-45-2342-19 |
| Wiley ID |
1689186 |
![2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(4-(2-phenylacetyl)piperazin-1-yl)pyrimidine-5-carbonitrile](/api/spectrum/JsuR82LnuYn/structure.png?h=300&w=458 "2-((1H-Benzo[d]imidazol-2-yl)methylthio)-4-phenyl-6-(4-(2-phenylacetyl)piperazin-1-yl)pyrimidine-5-carbonitrile")
