EA6
Summary
| Name: | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
| Formula: | C14 H19 Cl F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 343.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20) |
| InChIKey | InChI | 1.03 | LWMCHYYYRYHTJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl |
| SMILES | CACTVS | 3.385 | CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C |
