QAY
Summary
| Name: | 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one |
| Formula: | C12 H12 N6 O |
| Formal charge: | 0 |
| Formula weight: | 256.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N6O/c13-3-1-8-5-17-18(6-8)11-10-9(2-4-14-11)12(19)16-7-15-10/h2,4-7H,1,3,13H2,(H,15,16,19) |
| InChIKey | InChI | 1.03 | YNSLRVQPGFUMPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1cnn(c1)c2nccc3C(=O)NC=Nc23 |
| SMILES | CACTVS | 3.385 | NCCc1cnn(c1)c2nccc3C(=O)NC=Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN |
