AF9
Summary
| Name: | 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide |
| Synonyms: | AF-219 |
| Formula: | C14 H19 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 353.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19) |
| InChIKey | InChI | 1.03 | HLWURFKMDLAKOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC |
