EU2
Summary
| Name: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one |
| Formula: | C17 H17 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 344.795 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17ClN4O2/c18-14-9-20-17(21-12-3-5-24-6-4-12)22-15(14)10-1-2-11-8-19-16(23)13(11)7-10/h1-2,7,9,12H,3-6,8H2,(H,19,23)(H,20,21,22) |
| InChIKey | InChI | 1.03 | GIZKBEAJKWOWLS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnc(NC2CCOCC2)nc1c3ccc4CNC(=O)c4c3 |
| SMILES | CACTVS | 3.385 | Clc1cnc(NC2CCOCC2)nc1c3ccc4CNC(=O)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2 |
