9W8
Summary
| Name: | 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one |
| Formula: | C16 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 284.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H20N4O/c1-11-10-14(21)15(12(2)19-11)13-4-8-20(9-5-13)16-17-6-3-7-18-16/h3,6-7,10,13H,4-5,8-9H2,1-2H3,(H,19,21) |
| InChIKey | InChI | 1.03 | XTTKCROQZXMTBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=C(C)N1)C2CCN(CC2)c3ncccn3 |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=C(C)N1)C2CCN(CC2)c3ncccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3 |
