WC2
Summary
| Name: | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine |
| Formula: | C8 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 201.653 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-N-(3-methoxypropyl)pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-~{N}-(3-methoxypropyl)pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(NCCCOC)ncn1 |
| InChI | InChI | 1.06 | InChI=1S/C8H12ClN3O/c1-13-4-2-3-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12) |
| InChIKey | InChI | 1.06 | UJCCDUAZDDMWBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCCNc1cc(Cl)ncn1 |
| SMILES | CACTVS | 3.385 | COCCCNc1cc(Cl)ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCCNc1cc(ncn1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCCNc1cc(ncn1)Cl |
