TNW
Summary
| Name: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one |
| Formula: | C17 H16 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 313.781 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3 |
| InChIKey | InChI | 1.03 | CQCXBTFANPRPTE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13 |
| SMILES | CACTVS | 3.385 | CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)N2c3cc(ccc3C(=NC2=O)N(C)C)Cl |
