9CE
Summary
| Name: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one |
| Formula: | C14 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 237.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) |
| InChIKey | InChI | 1.03 | MDRBCQOOJMXHOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccccc1C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | Nc1ccccc1C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N |
