95W
Summary
| Name: | 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione |
| Formula: | C22 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 392.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-10-12-25(13-11-18)15-17-6-5-9-20(23-17)29-19-7-3-2-4-8-19/h2-9,14,18H,10-13,15H2,1H3,(H,24,27,28) |
| InChIKey | InChI | 1.03 | BKRRWLAIGUKKJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN(C2CCN(CC2)Cc3cccc(Oc4ccccc4)n3)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN(C2CCN(CC2)Cc3cccc(Oc4ccccc4)n3)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cccc(n3)Oc4ccccc4 |
