15E
Summary
| Name: | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one |
| Formula: | C9 H9 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 241.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-bromanyl-3-methyl-1,4-dihydroquinazolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc2NC(=O)N(Cc2c1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13) |
| InChIKey | InChI | 1.03 | FZPAKYJRNKYQBY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1Cc2cc(Br)ccc2NC1=O |
| SMILES | CACTVS | 3.370 | CN1Cc2cc(Br)ccc2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1Cc2cc(ccc2NC1=O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1Cc2cc(ccc2NC1=O)Br |
