A1ACW
Summary
| Name: | 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| Formula: | C12 H8 Cl F N4 O |
| Formal charge: | 0 |
| Formula weight: | 278.67 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | 5-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cnc(Cl)nc1Nc1cc2CC(=O)Nc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8ClFN4O/c13-12-15-5-8(14)11(18-12)16-7-1-2-9-6(3-7)4-10(19)17-9/h1-3,5H,4H2,(H,17,19)(H,15,16,18) |
| InChIKey | InChI | 1.06 | UYDQRUSDQWWEED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cnc(Cl)nc1Nc2ccc3NC(=O)Cc3c2 |
| SMILES | CACTVS | 3.385 | Fc1cnc(Cl)nc1Nc2ccc3NC(=O)Cc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3c(cnc(n3)Cl)F)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3c(cnc(n3)Cl)F)CC(=O)N2 |
