VDT
Summary
| Name: | 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine |
| Formula: | C16 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 280.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(2-cyclopropylethynyl)-6-(2-methoxyphenyl)pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N4O/c1-21-13-5-3-2-4-11(13)14-12(9-8-10-6-7-10)15(17)20-16(18)19-14/h2-5,10H,6-7H2,1H3,(H4,17,18,19,20) |
| InChIKey | InChI | 1.06 | ZJTKSYLILOEUOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1c2nc(N)nc(N)c2C#CC3CC3 |
| SMILES | CACTVS | 3.385 | COc1ccccc1c2nc(N)nc(N)c2C#CC3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1c2c(c(nc(n2)N)N)C#CC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1c2c(c(nc(n2)N)N)C#CC3CC3 |
