GRY
Summary
| Name: | ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine |
| Formula: | C12 H14 N4 |
| Formal charge: | 0 |
| Formula weight: | 214.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) |
| InChIKey | InChI | 1.03 | SFVBOQCTJBQABR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)nc(Nc2ccc(N)cc2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)nc(Nc2ccc(N)cc2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)Nc2ccc(cc2)N)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(nc(n1)Nc2ccc(cc2)N)C |
