WRA
Summary
| Name: | 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE |
| Synonyms: | 4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-[(2,4,5-TRICHLOROPHENOXY)PROPYLOXY]-1,3,5-TRIAZINE |
| Formula: | C14 H18 Cl3 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.684 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2cc(OCCCON1C(=NC(=NC1(C)C)N)N)c(Cl)cc2Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)N=C(N)N=C(N)N1OCCCOc2cc(Cl)c(Cl)cc2Cl |
| SMILES | CACTVS | 3.341 | CC1(C)N=C(N)N=C(N)N1OCCCOc2cc(Cl)c(Cl)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21) |
| InChIKey | InChI | 1.03 | MJZJYWCQPMNPRM-UHFFFAOYSA-N |
