P65
Summary
| Name: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine |
| Formula: | C14 H15 Cl3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 377.654 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 6-methyl-5-[3-[2,4,5-tris(chloranyl)phenoxy]propoxy]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15Cl3N4O2/c1-7-12(13(18)21-14(19)20-7)23-4-2-3-22-11-6-9(16)8(15)5-10(11)17/h5-6H,2-4H2,1H3,(H4,18,19,20,21) |
| InChIKey | InChI | 1.03 | KNUBCZHIBGZRJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(N)nc(N)c1OCCCOc2cc(Cl)c(Cl)cc2Cl |
| SMILES | CACTVS | 3.370 | Cc1nc(N)nc(N)c1OCCCOc2cc(Cl)c(Cl)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl |
