RP9
Summary
| Name: | ~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide |
| Formula: | C16 H13 Br N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 373.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13BrN4O2/c17-11-5-6-14(18-9-11)20-15(22)7-8-21-10-19-13-4-2-1-3-12(13)16(21)23/h1-6,9-10H,7-8H2,(H,18,20,22) |
| InChIKey | InChI | 1.06 | FGODKUDXJWXULG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1 |
| SMILES | CACTVS | 3.385 | Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C(=O)N(C=N2)CCC(=O)Nc3ccc(cn3)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C(=O)N(C=N2)CCC(=O)Nc3ccc(cn3)Br |
