HA6
Summary
| Name: | 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C10 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 229.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H7N5O2/c16-9-7-1-2-11-5-8(7)14-10(15-9)17-6-3-12-13-4-6/h1-5H,(H,12,13)(H,14,15,16) |
| InChIKey | InChI | 1.03 | MOMKPBKMLHPDGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3 |
| SMILES | CACTVS | 3.385 | O=C1NC(=Nc2cnccc12)Oc3c[nH]nc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3 |
