25F
Summary
| Name: | 2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one |
| Formula: | C14 H9 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 301.138 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-bromophenyl)quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-(4-bromophenyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18) |
| InChIKey | InChI | 1.03 | NRCCYFAMXZIJSC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.370 | Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br |
