6P6
Summary
| Name: | 1-(4-phenylazanylquinazolin-7-yl)ethanone |
| Formula: | C16 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 263.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-(4-phenylazanylquinazolin-7-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | PJPNKKKIJHLRQY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3 |
