CQ3
Summary
| Name: | N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide |
| Formula: | C18 H22 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 375.853 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClN5O2/c1-2-16(25)22-14-5-3-4-6-15(14)23-17-13(19)11-20-18(24-17)21-12-7-9-26-10-8-12/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)(H2,20,21,23,24) |
| InChIKey | InChI | 1.03 | JZDAKZQIQGCCGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccccc1Nc2nc(NC3CCOCC3)ncc2Cl |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccccc1Nc2nc(NC3CCOCC3)ncc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1ccccc1Nc2c(cnc(n2)NC3CCOCC3)Cl |
