A1DE4
Summary
| Name: | N~4~-butyl-N~2~-(2,6-dichlorophenyl)pyridine-2,4-diamine |
| Formula: | C15 H17 Cl2 N3 |
| Formal charge: | 0 |
| Formula weight: | 310.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~4~-butyl-N~2~-(2,6-dichlorophenyl)pyridine-2,4-diamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}2-[2,6-bis(chloranyl)phenyl]-~{N}4-butyl-pyridine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cccc(Cl)c1Nc1cc(ccn1)NCCCC |
| InChI | InChI | 1.06 | InChI=1S/C15H17Cl2N3/c1-2-3-8-18-11-7-9-19-14(10-11)20-15-12(16)5-4-6-13(15)17/h4-7,9-10H,2-3,8H2,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.06 | NQWVIDYDUDSPSX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNc1ccnc(Nc2c(Cl)cccc2Cl)c1 |
| SMILES | CACTVS | 3.385 | CCCCNc1ccnc(Nc2c(Cl)cccc2Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCNc1ccnc(c1)Nc2c(cccc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCNc1ccnc(c1)Nc2c(cccc2Cl)Cl |
