| 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 |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1689187 |
![2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-(4-nitrobenzoyl)piperazin-1-yl)pyrimidine-5-carbonitrile](/api/spectrum/89nNZcrsSxV/structure.png?h=300&w=458 "2-((1H-Benzo[d]imidazol-2-yl)methylthio)-6-phenyl-4-(4-(4-nitrobenzoyl)piperazin-1-yl)pyrimidine-5-carbonitrile")
