A1ACA
Summary
| Name: | 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| Formula: | C12 H8 Br Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 339.575 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | 5-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cnc(Cl)nc1Nc1cc2CC(=O)Nc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8BrClN4O/c13-8-5-15-12(14)18-11(8)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 | SJAZGXTVTZRNRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ncc(Br)c(Nc2ccc3NC(=O)Cc3c2)n1 |
| SMILES | CACTVS | 3.385 | Clc1ncc(Br)c(Nc2ccc3NC(=O)Cc3c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3c(cnc(n3)Cl)Br)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3c(cnc(n3)Cl)Br)CC(=O)N2 |
