7JL
Summary
| Name: | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one |
| Synonyms: | 6-bromo-8-hydroxy-3H-quinazolin-4-one |
| Formula: | C8 H5 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.041 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13) |
| InChIKey | InChI | 1.03 | AUPAGWVOMYPVRN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Br)cc2C(=O)NC=Nc12 |
| SMILES | CACTVS | 3.385 | Oc1cc(Br)cc2C(=O)NC=Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1C(=O)NC=N2)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c2c1C(=O)NC=N2)O)Br |
