7BF
Summary
| Name: | 5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline |
| Formula: | C19 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 346.386 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N6O/c1-3-14-11-20-8-6-16(14)17(5-1)26-12-15-4-2-10-24(15)18-7-9-21-19-22-13-23-25(18)19/h1,3,5-9,11,13,15H,2,4,10,12H2/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | UCCCEISNAUTIDA-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@H](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45 |
| SMILES | CACTVS | 3.385 | C1C[CH](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cnccc2c(c1)OCC3CCCN3c4ccnc5n4ncn5 |
