N5J
Summary
| Name: | 3H-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C7 H5 N3 O |
| Formal charge: | 0 |
| Formula weight: | 147.134 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3H-pyrido[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | QMOPAFMMLWUTKI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=Nc2cnccc12 |
| SMILES | CACTVS | 3.385 | O=C1NC=Nc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cncc2c1C(=O)NC=N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cncc2c1C(=O)NC=N2 |
