D6X
Summary
| Name: | N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine |
| Formula: | C18 H18 N6 |
| Formal charge: | 0 |
| Formula weight: | 318.376 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18N6/c1-12-11-13(2)24-18(20-12)22-17(23-24)9-10-19-16-8-7-14-5-3-4-6-15(14)21-16/h3-8,11H,9-10H2,1-2H3,(H,19,21) |
| InChIKey | InChI | 1.03 | GAAIMHFFJZPUGG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)n2nc(CCNc3ccc4ccccc4n3)nc2n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)n2nc(CCNc3ccc4ccccc4n3)nc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C |
