A1ACL
Summary
| Name: | 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| Formula: | C12 H8 Cl2 N4 O |
| Formal charge: | 0 |
| Formula weight: | 295.124 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 2.0.7 | 5-[[5,6-bis(chloranyl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(Cl)ncnc1Nc1cc2CC(=O)Nc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8Cl2N4O/c13-10-11(14)15-5-16-12(10)17-7-1-2-8-6(3-7)4-9(19)18-8/h1-3,5H,4H2,(H,18,19)(H,15,16,17) |
| InChIKey | InChI | 1.06 | BBFLDVQVTYHLEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ncnc(Nc2ccc3NC(=O)Cc3c2)c1Cl |
| SMILES | CACTVS | 3.385 | Clc1ncnc(Nc2ccc3NC(=O)Cc3c2)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3c(c(ncn3)Cl)Cl)CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Nc3c(c(ncn3)Cl)Cl)CC(=O)N2 |
