CJR
Summary
| Name: | N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine |
| Formula: | C12 H20 N6 O |
| Formal charge: | 0 |
| Formula weight: | 264.327 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H20N6O/c1-14-10-6-11(16-12(13)15-10)18-4-2-17(3-5-18)9-7-19-8-9/h6,9H,2-5,7-8H2,1H3,(H3,13,14,15,16) |
| InChIKey | InChI | 1.03 | LBGCEAAVIBBBPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3 |
| SMILES | CACTVS | 3.385 | CNc1cc(nc(N)n1)N2CCN(CC2)C3COC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNc1cc(nc(n1)N)N2CCN(CC2)C3COC3 |
