7ZO
Summary
| Name: | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one |
| Formula: | C12 H9 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 260.679 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClN4O/c13-9-5-14-6-15-12(9)16-8-1-2-10-7(3-8)4-11(18)17-10/h1-3,5-6H,4H2,(H,17,18)(H,14,15,16) |
| InChIKey | InChI | 1.03 | XGLOINXVRYWOSM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cncnc1Nc2ccc3NC(=O)Cc3c2 |
| SMILES | CACTVS | 3.385 | Clc1cncnc1Nc2ccc3NC(=O)Cc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2 |
