N0C
Summary
| Name: | ~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide |
| Formula: | C22 H34 N8 O2 |
| Formal charge: | 2 |
| Formula weight: | 442.558 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | trimethyl-[2-oxidanylidene-2-[2-[[2-phenyl-6-[(~{E})-[2-(trimethylazaniumyl)ethanoylhydrazinylidene]methyl]pyrimidin-4-yl]methyl]hydrazinyl]ethyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H32N8O2/c1-29(2,3)15-20(31)27-23-13-18-12-19(14-24-28-21(32)16-30(4,5)6)26-22(25-18)17-10-8-7-9-11-17/h7-13H,14-16H2,1-6H3,(H-2,23,24,25,26,27,28,31,32)/p+2 |
| InChIKey | InChI | 1.06 | HKNVHNBOLZPBQX-UHFFFAOYSA-P |
| SMILES_CANONICAL | CACTVS | 3.385 | C[N+](C)(C)CC(=O)NNCc1cc(\C=N\NC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[N+](C)(C)CC(=O)NNCc1cc(C=NNC(=O)C[N+](C)(C)C)nc(n1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)/C=N/NC(=O)C[N+](C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)C=NNC(=O)C[N+](C)(C)C |
