9CB
Summary
| Name: | 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
| Formula: | C17 H16 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 329.781 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16ClN3O2/c1-21(8-9-22)13-5-2-11(3-6-13)16-19-15-10-12(18)4-7-14(15)17(23)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20,23) |
| InChIKey | InChI | 1.03 | BVRNUZUFOQOYPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)C2=Nc3cc(Cl)ccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | CN(CCO)c1ccc(cc1)C2=Nc3cc(Cl)ccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl |
